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32

抑制剂 & 化合物

8

天然产物

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Cat. No.	Product Name	Target	Signaling Pathways
T16104	ML-9	Myosin; Akt	Cytoskeletal Signaling; PI3K/Akt/mTOR signaling
	ML-9 是 Akt 激酶的一种选择性强效抑制剂，可抑制肌球蛋白轻链激酶 (MLCK) 和基质相互作用分子1(STIM1) 活性。它通过刺激自噬小体的形成并抑制其降解来诱导自噬。它抑制 MLCK，PKA 和 PKC 活性，Ki 值分别为 4、32 和 54 μM。
T16103	ML-9 Free Base	Others	Others
	ML-9 (free base) suppresses MLCK, PKA, and PKC activity (Ki: 4, 32, and 54 μM, respectively). ML-9 (free base) is a selective and effective inhibitor of Akt kinase, inhibits myosin light-chain kinase (MLCK), and stromal interaction molecule 1 (STIM1) acti
T74769	Antituberculosis agent-9
	Antituberculosis agent-9 (Compound 5a) 是一种具有口服活性的抗结核剂，对H37Ra 的MIC 为 0.5 μg/mL。
T79974	HIV-IN-8
	HIV-IN-8（Compound 9）为抗HIV药物，通过抑制HIV复制发挥作用，其半抑制浓度（EC50）为13 μg/mL。
T82194	HIV-IN-9
	HIV-IN-9 (Compound 2b)为一种HIV抑制剂，IC50值为6.65 μg/mL，对HIV-RT展现出高度结合亲和力。此外，HIV-IN-9亦能抑制CYP3A4、CYP1A2、CYP2C1和CYP2D6等多种酶。
T79765	SDH-IN-9
	SDH-IN-9 (compound Ip)作为Succinate Dehydrogenase的有效抑制剂，对Fusarium graminearum Schw展现出了0.93 μg/mL的EC50值。
T78866	DNA Gyrase-IN-9	DNA/RNA Synthesis	Cell Cycle/Checkpoint; DNA Damage/DNA Repair
	DNA Gyrase-IN-9 (compound 4j) 是一款抗细菌剂，作用于 DNA gyrase。该化合物对抑制革兰氏阳性菌的最小抑菌浓度（MIC）范围为 0.5-2 μg/mL，最小杀菌浓度（MBC）为 2-8 μg/mL。在金黄色葡萄球菌中，DNA Gyrase-IN-9 的 DNA gyrase 抑制半数有效浓度（IC50）为 6.29 μg/mL。
T62754	Anticancer agent 34
	Anticancer agent 34 (compound 9) 是一种磺酰脲类衍生物，也是一种有效的抗微生物剂和抗癌剂。Anticancer agent 34 对蕈状芽孢杆菌、大肠杆菌和白色念珠菌的微生物生长表现出抑制作用 (MIC: 0.039-0.156 mg/ml)。Anticancer agent 34 能够抑制 A549 细胞 (IC50: 8.4 μg/ml)、PC3 细胞 (IC50: 7.8 μg/ml) 的生长。
T74954	Antimicrobial agent-9
	Antimicrobial agent-9 (Compound 16) 作为一种抗菌剂，其对革兰氏阳性及革兰氏阴性细菌表现出2-8 μg/mL的最小抑菌浓度（MIC）。此外，Antimicrobial agent-9 还展现了抗炎活性。
T41179	CL 82198 hydrochloride
	CL 82198 hydrochloride is a selective inhibitor of MMP-13 (89% inhibition at 10μg/mL) that displays no activity at MMP-1, MMP-9 or TACE. Inhibitsin vitroinvasion by the human pituitary adenoma cell line HP75. Rescues paclitaxel induced axon degradation and reduces associated neurotoxicity in zebrafish.
T78599	CK2-IN-9
	CK2-IN-9是一种有效的CK2 kinase选择性抑制剂，IC50值为3 nM。它能降低Wnt报告因子的活性，达到IC50为75 nM。在大鼠体内显示出低暴露量（AUC=0.36 μM/h）及高清除率（CL=65 mL/min/kg）。
T78883	DprE1-IN-9
	DprE1-IN-9（compound B18）是一款高效的可逆DprE1抑制剂，能够结合至DprE1的受体腔。该化合物对分枝杆菌表现出显著的抗菌活性，作用于非致病性菌株H37Ra（MIC=0.18 µg/mL）及致病性H37Rv菌株，并对多重耐药（MDR）和极度耐药（XDR）的临床分离株同样有效。
T28449	Pradefovir ICN-2001-3,MB-6866,帕拉德福韦,ICN-20013,MB-06866,Remofovir	HBV	Microbiology/Virology
	Pradefovir (Remofovir) 是一种逆转录酶抑制剂，可能用于治疗慢性 HBV 感染。它也是阿德福韦的肝脏靶向前药。代谢激活后，它在人肝微粒体中转化为 PMEA(9-(2-膦酰基甲氧基乙基)腺嘌呤)，Km 为 60 microM，最大代谢速率为 228 pmol/min/mg 蛋白质，以及内在的清除率约为 359 ml/min。
T36844	Inostamycin A
	Inostamycin A is a bacterial metabolite that has been found inStreptomycesand has anticancer activity.1It is an inhibitor of CDP-diacylglycerol:inositol 3-phosphatidyltransferase (IC50= 0.02 μg/ml in A431 cell membranes) and is selective for CDP-diacylglycerol:inositol 3-phosphatidyltransferase over phospholipase C (PLC) and phosphatidylinositol kinase at 10 μg/ml.2Inostamycin A decreases viability of YCU-T892, KCC-TC873, KB, HSC-4, and YCU-T891 oral squamous cell carcinoma (OSCC) cells in a con...
T79735	DHFR-IN-9
	DHFR-IN-9（化合物8A）是一种二氢叶酸还原酶（DHFR）抑制剂，通过干扰细胞内嘌呤和胸苷酸的生物合成而影响细胞生长和增殖。该化合物对抗耐甲氧西林金黄色葡萄球菌（MRSA）ATCC 43300展现出显著的抑制效果（IC50=0.25 μg/mL），并在全身及大腿感染的小鼠模型中显示出抗感染能力（剂量：2.5 mg/kg，5 mg/kg；ip）。此外，DHFR-IN-9在乳腺癌小鼠模型中展示了超过紫杉醇（Y-B0015）的抗癌活性（剂量：2.5 mg/kg；ip；每3天1次）。
T69995	Chlorhexidine-d8 HCl
	Chlorhexidine-d8 is intended for use as an internal standard for the quantification of chlorhexidine by GC- or LC-MS. Chlorhexidine is a bis(biguanide) antimicrobial disinfectant and antiseptic agent. It inhibits growth of clinical methicillin-resistant S. aureus (MRSA) isolates (MIC90 = 4 μg/ml). It is also active against canine isolates of MRSA, methicillin-susceptible S. aureus (MSSA), methicillin-resistant S. pseudintermedius (MRSP), and methicillin-susceptible S. pseudintermedius (MSSP; MIC...
T35423	7-oxo Staurosporine
	7-oxo Staurosporine is an antibiotic originally isolated from S. platensis with diverse biological activites. It inhibits PKC, PKA, phosphorylase kinase, EGFR, and c-Src in vitro (IC50s = 9, 26, 5, 200, and 800 nM, respectively). 7-oxo Staurosporine induces cell cycle arrest in the G2/M phase in human leukemia K562 cells with a minimal effective dose (MED) of 30 ng/ml. It is cytotoxic to P388 mouse leukemia cells that are resistant and susceptible to doxorubicin . 7-oxo Staurosporine inhibits gr...
T36174	Methyl 3,4-Dihydroxyphenylacetate
	Methyl 3,4-dihydroxyphenylacetate is a polyphenol that has been found inI. aquifoliumseeds and has antioxidant and antiviral activities.1,2It scavenges 2,2-diphenyl-1-picrylhydrazyl radicals in a cell-free assay (IC50= 0.0025 mg/ml).1Methyl 3,4-dihydroxyphenylacetate (0.01 μg/ml) inhibits enterovirus 71 replication in rhabdomyosarcoma cells.2 1.Nahar, L., Russell, W.R., Middleton, M., et al.Antioxidant phenylacetic acid derivatives from the seeds of Ilex aquifoliumActa Pharm.55(2)187-193(2005) 2...
T38255	Penipurdin A
	Penipurdin A is an anthraquinone fungal metabolite originally isolated fromP. purpurogenumthat has antibacterial activity.1,2It is active againstM. tuberculosiswith a MIC value of 25 μg/ml.2 1.Xue, J., Fu, Y., Wu, P., et al.Two new anthraquinones from the soil fungus Penicillium purpurogenum SC0070J. Antibiot. (Tokyo)68(9)598-599(2015) 2.Daengrot, C., Rukachaisirikul, V., Tadpetch, K., et al.Penicillanthone and penicillidic acids A-C from the soil-derived fungus Penicillium aculeatum PSU-RSPG105...
T37553	(-)-Mycousnine
	(-)-Mycousnine is a microbial metabolite and derivative of usnic acid originally isolated fromM. nawaethat has antibacterial and antifungal activities.1,2It is active against the Gram-positive bacteriaB. subtilis,K. rhizophila, andS. aureus(MICs = 4, 8, and 4 g/ml, respectively) but not the Gram-negative bacteriaE. coli,S. typhimurium, andK. pneumoniae(MICs = >128 g/ml for all).2(-)-Mycousnine is also active against the fungiT. mentagrophytes,T. rubrum, andC. albicans(MICs = 25, 25, and 100 μg/m...
T36096	Thiocoraline
	Thiocoraline is a depsipeptide and DNAbis-intercalator originally isolated fromMicromonosporawith antibacterial and anticancer activities.1,2It is active against the Gram-positive bacteriaS. aureus,B. subtilis, andM. luteus(MICs = 0.05, 0.05, and 0.03 μg/ml, respectively) but not Gram-negativeE. coli,K. pneumoniae, orP. aeruginosa(MICs = >100 μg/ml for all).1Thiocoraline inhibits RNA and DNA polymerase and thymidylate synthase (IC50s = 6, 6, and 15 μg/ml, respectively), as well as RNA and DNA sy...
T37713	Funalenone
	Funalenone is a phenalenone originally isolated from A. niger. It inhibits HIV-1 integrase (IC50 = 10 μM) and HIV-1 replication in human peripheral blood cells transformed by murine leukemia virus (HPB-M(a); IC50 = 1.7 μM) but is less cytotoxic to mammalian HPB-M(a) cells (IC50 = 87 μM). Funalenone selectively inhibits matrix metalloproteinase-1 (MMP-1; IC50 = 170 μM) over MMP-2 and MMP-9, which it inhibits by 18.3 and 38.2%, respectively, when used at a concentration of 400 μM. It also inhibits...
T37721	Dihydronovobiocin
	Dihydronovobiocin is a coumarin antibiotic and derivative of novobiocin .1It is active against the bacteriaS. aureus,S. haemolyticus,D. pneumoniae,S. typhosa,K. pneumoniae, andP. multocida(MICs = 0.6, 2, 0.6, 10, 10, and 3 μg/ml, respectively).2Dihydronovobiocin inhibits DNA gyrase subunit B with an IC50value of 64.5 nM.3 1.Berger, J., and Batcho, A.D.Coumarin - glycoside antibioticsJ. Chromatogr. Lib.15101-158(1978) 2.Hoeksema, H.Dihydronovobiocin and derivatives thereof3,175,9441-9(1965) 3.Gev...
T37346	5-Hydroxytoluene-2,4-disulphonic acid diammonium
	5-Hydroxytoluene-2,4-disulphonic acid diammonium is an impurity of Policresulen. Policresulen is a potent NS2B/NS3 protease inhibitor with an IC50 of 0.48 μg/mL. Policresulen effectively inhibits the replication of DENV2 virus in BHK-21 cells with an IC50 of 4.99 μg/mL. Policresulen acted as a competitive inhibitor of the protease, and slightly affected the protease stability[1]. [1]. Deng-wei Wu, et al. Policresulen, a novel NS2B/NS3 protease inhibitor, effectively inhibits the replication of D...
T35680	2-(1-(Thiophen-2-yl)ethylidene)hydrazinecarbothioamide
	2-(1-(Thiophen-2-yl)ethylidene)hydrazinecarbothioamide is an antimicrobial agent.1It is active against the Gram-negative bacteriaE. coli,P. aeruginosa, andS. marcescens(MICs = 64, 100, and 70 μg/ml, respectively), the Gram-positive bacteriaS. aureus,M. luteus, andB. cereus(MICs = 130, 100, and 50 μg/ml, respectively), and the fungiC. albicans,G. candidum,T. rubrum,F. oxysporum,A. flavus, andS. brevicaulis(MICs = 69-120 μg/ml). 2-(1-(Thiophen-2-yl)ethylidene)hydrazinecarbothioamide is also a prec...
T37674	Aspyrone
	Aspyrone is a polyketide fungal metabolite that has been found inAspergillusand has diverse biological activities.1,2It is active against a panel of 13 fungi when used at a concentration of 20 μg/ml and a panel of 21 bacteria in a disc assay when used at a concentration of 100 μg per disc.1Aspyrone (10-1,000 mg/L) is nematocidal againstP. penetrans.2 1.Torres, M., Balcells, M., Sala, N., et al.Bactericidal and fungicidal activity of Aspergillus ochraceus metabolites and some derivativesPestic. S...
T35426	β-Defensin-1 (human) (trifluoroacetate salt)
	β-Defensin-1 is a peptide with antimicrobial properties that protects the skin and mucosal membranes of the respiratory, genitourinary, and gastrointestinal tracts.1It inhibits the growth ofB. adolescentis,L. acidophilus,B. breve,B. vulgatus,L. fermentum,B. longum, andS. thermophilusin an antimicrobial radial diffusion assay.2β-Defensin-1 also inhibits the growth of periodontopathogenic and cariogenic bacteria, includingP. gingivalisandS. salivarius, and of susceptibleM. tuberculosisH37Rv but no...
T35978	Benastatin A
	Benastatin A is a polyketide synthase-derived benastatin that has been found inStreptomycesand has diverse biological activities.1,2,3It inhibits glutathione S-transferase (GST; Ki= 5 μM for the rat liver enzyme).2Benastatin A is active against several bacteria, including methicillin-resistantS. aureus(MRSA; MIC = 3.12 μg/ml). It induces apoptosis and cell cycle arrest at the G1/G0phase in Colon 26 mouse colon cancer cells when used at concentrations of 20 and 16 μM, respectively.3 1.Xu, Z., Sch...
T37692	Piericidin B
	Piericidin B is a bacterial metabolite that has been found inS. mobaraensisand has insecticidal and antimicrobial activities.1,2,3It inhibits NADH oxidase activity in isolated bovine heart mitochondria and inhibits respiration in isolated rat liver mitochondria and isolated cockroach (P. americana) muscle mitochondria.2,3Topical application of piericidin B (4 μg/insect) induces mortality in 87.5% of houseflies (M. domestica).1It induces 93.3, 100, and 100% mortality in rice stem borer (C. simple...
T35701	FSL-1 TFA
	FSL-1 TFA, a bacterial-derived toll-like receptor 2/6 (TLR2/6) agonist, enhances resistance to experimental HSV-2 infection[1]. FSL-1 TFA induces MMP-9 production through TLR2 and NF-κB/AP-1 signaling pathways in monocytic THP-1 cells[2]. FSL-1 significantly reduces HSV-2 replication in human vaginal epithelial cells (EC)[1].FSL-1 induces significant resistance to experimental genital HSV-2 infection through elaboration of a specific cytokine response profile[1].FSL-1 (50 ng/mL, 24 hours) induce...
T35451	β-Defensin-2 (human) (trifluoroacetate salt)
	β-Defensin-2 is a peptide with antimicrobial properties that protects the skin and mucosal membranes of the respiratory, genitourinary, and gastrointestinal tracts.1It inhibits the growth of periodontopathogenic and cariogenic bacteria, includingP. gingivalisandS. salivarius.2β-Defensin-2 (30 μg/ml) stimulates gene expression and production of IL-6, IL-10, CXCL10, CCL2, MIP-3α, and RANTES by keratinocytes.3It also stimulates calcium mobilization, migration, and proliferation of keratinocytes whe...
T37847	Zonisamide-13C2,15N Zonisamide-13C2,15N
	Zonisamide-13C2,15N is intended for use as an internal standard for the quantification of zonisamide by GC- or LC-MS. Zonisamide is an antiepileptic agent.1 It selectively inhibits the repeated firing of sodium channels (IC50 = 2 μg/ml) in mouse embryo spinal cord neurons and inhibits spontaneous channel firing when used at concentrations greater than 10 μg/ml.2 In rat cerebral cortex neurons, zonisamide (1-1,000 μM) inhibits T-type calcium channels with a maximum reduction of 60% of the calcium...

化合物

Cat.No: T16104

Target: Myosin, Akt

Cat.No: T16103

Target: Others

Antituberculosis agent-9

Cat.No: T74769

Cat.No: T79974

Cat.No: T82194

Cat.No: T79765

DNA Gyrase-IN-9

Cat.No: T78866

Target: DNA/RNA Synthesis

Anticancer agent 34

Cat.No: T62754

Antimicrobial agent-9

Cat.No: T74954

CL 82198 hydrochloride

Cat.No: T41179

Cat.No: T78599

Cat.No: T78883

Cat.No: T28449

Synonym: ICN-2001-3,MB-6866,帕拉德福韦,ICN-20013,MB-06866,Remofovir

Target: HBV

Cat.No: T36844

Cat.No: T79735

Chlorhexidine-d8 HCl

Cat.No: T69995

7-oxo Staurosporine

Cat.No: T35423

Methyl 3,4-Dihydroxyphenylacetate

Cat.No: T36174

Cat.No: T38255

Cat.No: T37553

Cat.No: T36096

Cat.No: T37713

Dihydronovobiocin

Cat.No: T37721

5-Hydroxytoluene-2,4-disulphonic acid diammonium

Cat.No: T37346

2-(1-(Thiophen-2-yl)ethylidene)hydrazinecarbothioamide

Cat.No: T35680

Cat.No: T37674

β-Defensin-1 (human) (trifluoroacetate salt)

Cat.No: T35426

Cat.No: T35978

Cat.No: T37692

Cat.No: T35701

β-Defensin-2 (human) (trifluoroacetate salt)

Cat.No: T35451

Zonisamide-13C2,15N

Cat.No: T37847

Synonym: Zonisamide-13C2,15N

Cat. No.	Product Name	Target	Signaling Pathways
T4601	9-Methoxycanthin-6-one	Others	Others
	9-Methoxycanthin-6-one 是存在于完整植株和不同外植体的愈伤组织中的 Canthin-6-one 生物碱，具有抗肿瘤作用。
T36914	2-Hydroxyanthraquinone	Others	Others
	2-Hydroxyanthraquinone 是一种天然产物，显示出抗肿瘤和免疫抑制活性。
T83558	(3S,4aS,10aS)-3-(Acetyloxy)-2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-9(1H)-phenanthrenone
	(3S,4aS,10aS)-3-(Acetyloxy)-2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-9(1H)-phenanthrenone（化合物3）是从丹参（Salvia miltiorrhiza）根提取的棕榈酸盐。该化合物展现出抗癌活性，对于不同的人类癌症细胞系具有显著的抑制效果，其DC50值分别为：HeLa细胞系25.5 μg/mL、HepG2细胞系37.5 μg/mL以及OVCAR-3细胞系30.2 μg/mL。
T80332	Maximin H1
	Maximin H1是一种抗菌肽，由中华红腹蟾蜍(Bombina maxima)皮肤分泌物提取得到。该化合物对Escherichia coli ATCC 25922、Staphylococcus aureus ATCC 25923、Bacillus pyocyaneus CMCC B1010和Candida albicans ATCC 2002表现出抗菌活性，其最小抑菌浓度(MIC)值分别为9、4.5、9、4.5 μg/ml。
TN3325	9-O-Feruloyl-5,5'-dimethoxylariciresinol	IL Receptor; TNF	Apoptosis; Immunology/Inflammation
	(+)-9'-O-trans-feruloyl-5,5'-dimethoxylariciresinol may have anti-allergic inflammatory effect, it can inhibit release of histamine from mast cells. It shows cytotoxicity against a small panel of human tumor cell lines, with ED50 values of 9.86 to approxi
T35409	(+)-δ-Cadinene	Apoptosis; Antibacterial	Apoptosis; Microbiology/Virology
	(+)-δ-Cadinene 是一种从G. hirsutum 中发现的倍半萜，具有抗菌、杀虫、抗癌和抗增殖活性。它对肺炎双球菌的MIC 值为31.25 μg/ml，对 A. stephensi、A. aegypti 和 C. quinquefasciatust 三龄幼虫的LC50s 值分别8.23、9. 2和3。(+)-δ-Cadinene（10、50 和 100 μM）可诱导 OVCAR-3 人类卵巢癌细胞凋亡并抑制其增殖。
T37272	9(S),12(S),13(S)-TriHOME
	9(S),12(S),13(S)-TriHOME is a linoleic acid-derived oxylipin that has diverse biological activities.1,2,3,4It has been found in various plants and is produced in human eosinophils in a 15-lipoxygenase-dependent, soluble epoxide hydrolase-independent manner.1,59(S),12(S)13(S)-TriHOME inhibits antigen-induced β-hexosaminidase release from RBL-2H3 mast cells (IC50= 28.7 μg/ml).2It inhibits LPS-induced nitric oxide (NO) production in BV-2 microglia (IC50= 40.95 μM).3In vivo, 9(S),12(S),13(S)-TriHOME...
T36348	Cerebroside C
	Cerebroside C is a fungal metabolite and glycosphingolipid that has been found in the rice pathogenic fungusM. grisea.1It induces production of the phytoalexin momilactone A when applied to wounded rice leaves, indicating that cerebroside C is an elicitor of the hypersensitive response in rice. Cerebroside C increases germination rate and reduces germination time in wheat seeds in a concentration-dependent manner at 4°C.2It also increases root length, fresh weight, and dry weight of wheat seedli...

天然产物

9-Methoxycanthin-6-one

Cat.No: T4601

Target: Others

2-Hydroxyanthraquinone

Cat.No: T36914

Target: Others

(3S,4aS,10aS)-3-(Acetyloxy)-2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-9(1H)-phenanthrenone

Cat.No: T83558

Cat.No: T80332

9-O-Feruloyl-5,5'-dimethoxylariciresinol

Cat.No: TN3325

Target: IL Receptor, TNF

(+)-δ-Cadinene

Cat.No: T35409

Target: Apoptosis, Antibacterial

9(S),12(S),13(S)-TriHOME

Cat.No: T37272

Cat.No: T36348

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