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28

抑制剂 & 化合物

9

天然产物

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Cat. No.	Product Name	Target	Signaling Pathways
T2670	ML167 NCGC00188654,CID44968231	DYRK; CDK	Cell Cycle/Checkpoint; Tyrosine Kinase/Adaptors
	ML167 (CID44968231) 是一种高选择性的 Cdc2 样激酶 4 抑制剂，IC50为 136 nM。
T1502	Vildagliptin 维达列汀,NVP-LAF 237,维格列汀,LAF237	Apoptosis; Ferroptosis; Proteasome; DPP-4	Apoptosis; Proteases/Proteasome; Ubiquitination
	Vildagliptin (LAF237) 是一种选择性二肽基肽酶IV (DPP-IV) 抑制剂，在人 Caco-2 细胞中抑制 DPP-IV 的IC50为 3.5 nM。它具有出色的口服生物利用度和降血糖活性。
T18957	D-Ala-Lys-AMCA hydrochloride	Others	Others
	D-Ala-Lys-AMCA hydrochloride 是发射蓝色荧光的质子偶联寡肽转运蛋白 1 (PEPT1) 的已知底物。 D-Ala-Lys-AMCA 可能被转运到 Caco-2 细胞和肝癌细胞中。
T34973	Tyrphostin 8 4-Hydroxybenzylidenemalononitrile	EGFR; GTPase	Angiogenesis; GPCR/G Protein; JAK/STAT signaling; Tyrosine Kinase/Adaptors
	Tyrphostin 8(4-Hydroxybenzylidenemalononitrile) 是一种有效的 GTP 酶抑制剂，对 EGFR 激酶有抑制作用， IC50 值为 560 μM。Tyrphostin 8 可抑制蛋白丝氨酸/苏氨酸钙调磷酸酶 (IC50=21 μM)，增强 Caco-2 细胞中转铁蛋白受体介导的转吞作用，并增加口服胰岛素 - 转铁蛋白的降血糖作用。
T3148	MK-571 sodium L-660711 (sodium salt),L-660711 sodium salt,Verlukast sodium,L-660711,MK571,MK-571 sodium salt,Propanoic acid	Leukotriene Receptor; LTR	GPCR/G Protein; Immunology/Inflammation
	MK-571 sodium (L-660711 sodium salt) 是一种可口服的选择性白三烯 D4受体拮抗剂，在豚鼠和人肺膜的 Ki 分别为0.22 和 2.1 nM。
T37281	1-Palmitoleoyl glycerol
	1-Palmitoleoyl glycerol 是具有生物活性的单酰基甘油，在 Caco-2 细胞中可抑制 P-糖蛋白，还能诱导胸腺细胞凋亡。
T81910	L-Tryptophanylglycine
	L-Tryptophanylglycine（Trp-gly）作为一种二肽，其对Caco-2细胞摄取Ceronapril具有抑制作用，表现出Ki值为7.19 mM。
T61076	Vildagliptin dihydrate
	Vildagliptin dihydrate (LAF237 dihydrate) is a powerful and stable dipeptidyl peptidase IV (DPP-IV) inhibitor, demonstrating selectivity with an IC50 of 3.5 nM in human Caco-2 cells. This compound exhibits exceptional oral bioavailability and significant antihyperglycemic activity [1].
T18958	D-Ala-Lys-AMCA TFA (375822-19-8 free base) D-Ala-Lys-AMCA TFA	Others	Others
	D-Ala-Lys-AMCA TFA is a known substrate of proton-coupled oligopeptide transporter 1 (PEPT1) that emits blue fluorescence. D-Ala-Lys-AMCA TFA may be transported into Caco-2 cells and liver cancer cells.
T83083	Anticancer agent 166
	Anticanceragent 166 (compound 3)表现出对Caco-2细胞的显著抑制效果，其半数抑制浓度（IC50）为9.6 nM。
T18959	D-Ala-Lys-AMCA	Others	Others
	D-Ala-Lys-AMCA is a known substrate of proton-coupled oligopeptide transporter 1 (PEPT1) that emits blue fluorescence. D-Ala-Lys-AMCA may be transported into Caco-2 cells and liver cancer cells.
T82617	D-Ala-Lys-AMCA TFA
	D-Ala-Lys-AMCA是一个已知的PEPT1底物，具有发射蓝色荧光的性质。该化合物可被转运至肝癌细胞及Caco-2细胞。D-Ala-Lys-AMCA能够作为工具用于评估PEPT1的特异性底物或其抑制剂。
T70908	EST64454 free base
	EST64454 is a σ1 receptor (σ1R) antagonist clinical candidate for the treatment of pain. EST64454 shows an outstanding aqueous solubility, which together with its high permeability in Caco-2 cells will allow its classification as a BCS class I compound. It also shows high metabolic stability.
T80142	Cyclo(Gly-Arg-Gly-Asp-Ser-Pro) c(GRGDSP)	Integrin	Cytoskeletal Signaling
	Cyclo(Gly-Arg-Gly-Asp-Ser-Pro)（c(GRGDSP)）为RGD 抑制肽。该化合物作为合成的α5β1整联蛋白配体，能够竞争性阻断 invasin（Inv）与Caco-2细胞表面α5β1整联蛋白的相互结合。
T35815	Vildagliptin carboxylic acid metabolite (trifluoroacetate salt)
	Vildagliptin carboxylic acid metabolite is the major metabolite of the dipeptidyl peptidase 4 (DPP-4) inhibitor vildagliptin in humans. Vildagliptin carboxylic acid metabolite has an IC50 value of 477 μM for DPP-4 in human Caco-2 cells. It is formed from hydrolysis of the cyano group on vildagliptin.
T79256	DPP-4-IN-8
	DPP-4-IN-8 (compound 27) 是一种高效的选择性DPP4抑制剂，具有 0.96 μM 的 Ki。该化合物能够抑制 Caco-2 和 HepG-2 细胞中的 DPP4 二肽酶活性，并剂量依赖性地降低 TNF-α、IL-6 和 IL-1β 的表达水平[1]。
T78793	MAOA-IN-1	Monoamine Oxidase	Neuroscience
	MAOA-IN-1（化合物15）是一种口服有效的MAOA抑制剂，对前列腺癌细胞显示出细胞毒性。该化合物表现出Caco-2渗透性，同时具有较低的CNS渗透性。MAOA-IN-1可以用于研究抗癌和抗炎适应症。
T79915	Antioxidant agent-15	COX	Immunology/Inflammation; Neuroscience
	Antioxidant agent-15 (Compound 4) 显示出显著的抗氧化抑制活性，其 IC50 为 15.44 nM。在细胞水平上，Antioxidant agent-15 对Hela、Hep G2 和 Caco-2肿瘤细胞生长的抑制作用各自具有不同的 IC50 值，分别为 395.26 nM、4000.4 nM 和 24.6 nM。
T36410	9(E),11(E),13(E)-Octadecatrienoic Acid
	9(E),11(E),13(E)-Octadecatrienoic acid (β-ESA) is a conjugated polyunsaturated fatty acid that is found in plant seed oils and in mixtures of conjugated linolenic acids synthesized by the alkaline isomerization of linolenic acid. It reduces growth of Caco-2 colon cancer cells in a dose-dependent and time-dependent manner. In vitro, β-ESA induces DNA fragmentation and upregulation of pro-apoptotic Bax mRNA. β-ESA decreases protein expression of the apoptosis suppression factor Bcl-2 and induces a...
T36035	CAY10784
	CAY10784 is a STAT3 inhibitor (IC50= 0.74 μM in a reporter assay) and a derivative of WP1066 .1It inhibits proliferation of HeLa, Caco-2, A549, A375, U87MG, and HL-60 cancer cells (IC50s = 1.8, 1.8, 3, 2.8, 2.3, and 1.2 μM, respectively) but not PC3 or HT-29 cancer cells (IC50s = >10 μM for both). CAY10784 is also active againstH. pyloriandC. jejuni(MICs = 1.6 and 4.7 μM, respectively).2 1.Lü, Z., Li, X., Li, K., et al.Structure-activity study of nitazoxanide derivatives as novel STAT3 pathway i...
T38072	HSGN-218
	HSGN-218 is a gut-restrictive antibiotic.1It is active againstC. difficile(MIC = 0.007 μg/ml) and clinical isolates ofC. difficile(MICs = 0.003-0.03 μg/ml) and is not cytotoxic to Caco-2 cells when used at concentrations ranging from 4 to 64 μg/ml. HSGN-218 (50 mg/kg) increases survival and protects mice fromC. difficilerecurrence in mouse models ofC. difficileinfection. 1.Naclerio, G.A., Abutaleb, N.S., Li, D., et al.Ultrapotent inhibitor of Clostridioides difficile growth, which suppresses rec...
T36698	9(Z),11(E),13(E)-Octadecatrienoic Acid
	9(Z),11(E),13(E)-Octadecatrienoic Acid (α-ESA) is a conjugated polyunsaturated fatty acid commonly found in plant seed oil. This fatty acid accounts for about 60% of the total fatty acid composition of bitter gourd seed oil and about 70% in tung oil. α-ESA is metabolized and converted to conjugated linoleic acid (9Z,11E-CLA) in rats. It has shown potential as a tumor growth suppressor. In colon cancer Caco-2 cells, α-ESA induced apoptosis through up-regulation of GADD45, p53, and PPARγ. In DLD-1...
T36887	8(E),10(E),12(Z)-Octadecatrienoic Acid
	8(E),10(E),12(Z)-Octadecatrienoic acid is a conjugated polyunsaturated fatty acid (PUFA) that has been found inC. officinalisseed oil and has anticancer activity.1,2,3It inhibits the growth of Caco-2 cells when used at concentrations ranging from 10 to 50 μM.28(E),10(E),12(Z)-Octadecatrienoic acid (10 μM) induces formation of thiobarbituric acid reactive substances (TBARS) and apoptosis in DLD-1 colorectal adenocarcinoma cells.3It also inhibits prostaglandin biosynthesis in sheep vesicular gland...
T36517	Resveratrol-3-O-sulfate sodium
	Resveratrol-3-O-sulfate is a metabolite of resveratrol . In U-937 cells stimulated with LPS, resveratrol-3-O-sulfate (1 μM) decreases the expression of IL-1α, IL-1β, and IL-6 by 61.2, 76.6, and 42.2%, respectively, and decreases the release of TNF-α and IL-6 to similar levels as resveratrol. It has antioxidant activity in a Trolox assay, dose-dependently decreases growth of Caco-2 colorectal adenocarcinoma cells when used at concentrations ranging from 10 to 100 μM, and induces apoptosis at conc...
T36889	Methyl alpha-eleostearate
	Methyl alpha-eleostearate (α-ESA) is a conjugated polyunsaturated fatty acid commonly found in plant seed oil. This fatty acid accounts for about 60% of the total fatty acid composition of bitter gourd seed oil and about 70% in tung oil. α-ESA is metabolized and converted to conjugated linoleic acid (9Z,11E-CLA) in rats. It has shown potential as a tumor growth suppressor. In colon cancer Caco-2 cells, α-ESA induced apoptosis through up-regulation of GADD45, p53, and PPARγ. In DLD-1 cells supple...
T35775	HT-2 Toxin-13C22 HT-2 Toxin-13C22
	HT-2 toxin-13C22is intended for use as an internal standard for the quantification of HT-2 toxin by GC- or LC-MS. HT-2 toxin is a type A trichothecene mycotoxin and an active, deacetylated metabolite of the trichothecene mycotoxin T-2 toxin .1,2Like T-2 toxin, HT-2 toxin inhibits protein synthesis and cell proliferation in plants.2HT-2 toxin also reduces viability of HepG2, A549, HEp-2, Caco-2, A-204, U937, Jurkat, and RPMI-8226 cancer cells with IC50values ranging from 3.1 to 23 ng/ml and human...
T36888	9(Z),11(E),13(E)-Octadecatrienoic Acid ethyl ester
	9(Z),11(E),13(E)-Octadecatrienoic Acid ethyl ester (α-ESA) is a conjugated polyunsaturated fatty acid commonly found in plant seed oil. This fatty acid accounts for about 60% of the total fatty acid composition of bitter gourd seed oil and about 70% in tung oil. α-ESA is metabolized and converted to conjugated linoleic acid (9Z,11E-CLA) in rats. It has shown potential as a tumor growth suppressor. In colon cancer Caco-2 cells, α-ESA induced apoptosis through up-regulation of GADD45, p53, and PPA...
T61259	Valganciclovir
	Valganciclovir 是ganciclovir 的原药，具有抗巨细胞病毒CMV 感染的活性。

化合物

Cat.No: T2670

Synonym: NCGC00188654,CID44968231

Target: DYRK, CDK

Cat.No: T1502

Synonym: 维达列汀,NVP-LAF 237,维格列汀,LAF237

Target: Apoptosis, Ferroptosis, Proteasome, DPP-4

D-Ala-Lys-AMCA hydrochloride

Cat.No: T18957

Target: Others

Cat.No: T34973

Synonym: 4-Hydroxybenzylidenemalononitrile

Target: EGFR, GTPase

Cat.No: T3148

Synonym: L-660711 (sodium salt),L-660711 sodium salt,Verlukast sodium,L-660711,MK571,MK-571 sodium salt,Propanoic acid

Target: Leukotriene Receptor, LTR

1-Palmitoleoyl glycerol

Cat.No: T37281

L-Tryptophanylglycine

Cat.No: T81910

Vildagliptin dihydrate

Cat.No: T61076

D-Ala-Lys-AMCA TFA (375822-19-8 free base)

Cat.No: T18958

Synonym: D-Ala-Lys-AMCA TFA

Target: Others

Anticancer agent 166

Cat.No: T83083

Cat.No: T18959

Target: Others

D-Ala-Lys-AMCA TFA

Cat.No: T82617

EST64454 free base

Cat.No: T70908

Cyclo(Gly-Arg-Gly-Asp-Ser-Pro)

Cat.No: T80142

Synonym: c(GRGDSP)

Target: Integrin

Vildagliptin carboxylic acid metabolite (trifluoroacetate salt)

Cat.No: T35815

Cat.No: T79256

Cat.No: T78793

Target: Monoamine Oxidase

Antioxidant agent-15

Cat.No: T79915

Target: COX

9(E),11(E),13(E)-Octadecatrienoic Acid

Cat.No: T36410

Cat.No: T36035

Cat.No: T38072

9(Z),11(E),13(E)-Octadecatrienoic Acid

Cat.No: T36698

8(E),10(E),12(Z)-Octadecatrienoic Acid

Cat.No: T36887

Resveratrol-3-O-sulfate sodium

Cat.No: T36517

Methyl alpha-eleostearate

Cat.No: T36889

HT-2 Toxin-13C22

Cat.No: T35775

Synonym: HT-2 Toxin-13C22

9(Z),11(E),13(E)-Octadecatrienoic Acid ethyl ester

Cat.No: T36888

Cat.No: T61259

Cat. No.	Product Name	Target	Signaling Pathways
TN1237	3-O-Methylgallic acid 3,4-Dihydroxy-5-methoxybenzoic acid,3-O-甲基没食子酸	Apoptosis; NF-κB; OCT; DNA/RNA Synthesis; STAT	Apoptosis; Cell Cycle/Checkpoint; DNA Damage/DNA Repair; JAK/STAT signaling; Membrane transporter/Ion channel; NF-κB; Stem Cells
	3-O-Methylgallic acid (3,4-Dihydroxy-5-methoxybenzoic acid) 是一种花青素代谢产物，具有强大的抗氧化能力。它还诱导细胞凋亡并具有抗癌作用，可抑制 Caco-2 细胞增殖，IC50值为 24.1 μM。
TN1740	Homoeriodictyol 高胜草酚,高圣草酚	5-HT Receptor; transporter; Sodium Channel; Drug Metabolite	GPCR/G Protein; Membrane transporter/Ion channel; Metabolism; Neuroscience
	Homoeriodictyol 是 Eriocitrin 的代谢物，属于黄酮类。Eriocitrin 是强效抗氧化剂。
T5S0890	Oleandrin Neriostene,Folinerin,Foliandrin,欧夹竹桃苷	Apoptosis; ATPase; Potassium Channel; Sodium Channel	Apoptosis; Membrane transporter/Ion channel
	Oleandrin (Folinerin) 是夹竹桃属中的一种类固醇，可抑制Na+/K+-ATPase 活性，IC50为 620 nM。
T36473	trans-Nerolidol
	trans-Nerolidol is a sesquiterpene that has been found in various plants, includingC. sativa, and has diverse biological activities, including antimicrobial, antioxidant, anticancer, and insecticidal properties.1,2,3,4In a disc assay,trans-nerolidol inhibits the growth ofS. aureus,B. subtilis,E. coli, andS. cerevisiaewith zones of inhibition measuring 10, 9, 10, and 4 mm, respectively.2It reduces viability of CaCo-2 adenocarcinoma cells with an IC50value of 28.7 mg/L and reduces production of re...
T6S1315	Oroxylin A 千层纸素A,6-Methoxybaicalein,Baicalein 6-methyl ether	Virus Protease; HIF/HIF Prolyl-Hydroxylase; Autophagy	Autophagy; Chromatin/Epigenetic; Metabolism; Microbiology/Virology
	Oroxylin A (Baicalein 6-methyl ether) 是一种有活性的黄酮，具有较强的抗癌作用。
T81797	Microcystin-LF
	Microcystin-LF 是 Microcystin-LR 的苯丙氨酸变体，属于细菌代谢物，且对 Caco-2 细胞显示出细胞毒性。
TN6645	Lucidumol A
	Lucidumol A has relatively good effect against aldose reductase with IC50 of 19.1uM. Lucidumol A has cytotoxic activity, it reduced cell growth in three human carcinoma cells (Caco-2, HepG2, and HeLa cells) dose dependently with LC50s from 20.87 to 84.36
T37810	6',7'-Epoxybergamottin
	6'7'-Epoxybergamottin is a furanocoumarin found in grapefruit. It is a potent inhibitor of the cytochrome P450 (CYP) isoform CYP3A4 with an IC50 value of 0.30 ppm in a cell-free assay, 0.33 μM in HL7 human liver cells, and 0.22 μM in S9 human intestine cells. It has been studied in the context of drug interactions with grapefruit constituents. It is found in grapefruit juice at concentrations of 0.1-7.4 μM and inhibits the transport of talinolol , a permeability glycoprotein (P-gp/ABCB1) transpo...
TN2190	Scoulerine	Apoptosis; Beta-Secretase; BACE; Parasite	Apoptosis; Microbiology/Virology; Neuroscience
	Scoulerine 是抗有丝分裂化合物。它抑制细胞增殖，阻止细胞周期，并诱导癌细胞凋亡。它也是BACE1(淀粉样前体蛋白裂解酶 1) 的抑制剂。

天然产物

3-O-Methylgallic acid

Cat.No: TN1237

Synonym: 3,4-Dihydroxy-5-methoxybenzoic acid,3-O-甲基没食子酸

Target: Apoptosis, NF-κB, OCT, DNA/RNA Synthesis, STAT

Homoeriodictyol

Cat.No: TN1740

Synonym: 高胜草酚,高圣草酚

Target: 5-HT Receptor, transporter, Sodium Channel, Drug Metabolite

Cat.No: T5S0890

Synonym: Neriostene,Folinerin,Foliandrin,欧夹竹桃苷

Target: Apoptosis, ATPase, Potassium Channel, Sodium Channel

trans-Nerolidol

Cat.No: T36473

Cat.No: T6S1315

Synonym: 千层纸素A,6-Methoxybaicalein,Baicalein 6-methyl ether

Target: Virus Protease, HIF/HIF Prolyl-Hydroxylase, Autophagy

Cat.No: T81797

Cat.No: TN6645

6',7'-Epoxybergamottin

Cat.No: T37810

Cat.No: TN2190

Target: Apoptosis, Beta-Secretase, BACE, Parasite

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