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9

抑制剂 & 化合物

4

天然产物

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Cat. No.	Product Name	Target	Signaling Pathways
T24676	PS423 PS210AM,PS 210 AM,PS 423,PS210-AM,PS-423
	PS423 is a substrate-selective protein kinase PDK1 inhibitor that acts by binding to the PIF-pocket allosteric docking site.
T16450	PDK1-IN-RS2	PDK	PI3K/Akt/mTOR signaling
	PDK1-IN-RS2 inhibits the activation of the downstream kinases S6K1 by PDK1. PDK1-IN-RS2 is a mimic of the peptide docking motif (PIFtide) and is a substrate-selective PDK1 inhibitor (Kd: 9 μM).
T81743	mTORC1-IN-1	mTOR	PI3K/Akt/mTOR signaling
	mTORC1-IN-1（compound T1）为一种rapalog及选择性mTORC1抑制剂，调节细胞生长和代谢，与多种疾病如癌症相关。该化合物通过与FKBP12-FRB复合物结合（对接分数−11.6 kcal/mol）来靶向mTORC1。
T36187	Celecoxib Carboxylic Acid
	Celecoxib carboxylic acid is an inactive metabolite of the COX-2 inhibitor celecoxib .1,2It is formed from celecoxib primarily by the cytochrome P450 (CYP) isoform CYP2C9. 1.Liu, H., Huang, X., Shen, J., et al.Inhibitory mode of 1,5-diarylpyrazole derivatives against cyclooxygenase-2 and cyclooxygenase-1: Molecular docking and 3D QSAR analysesJ. Med. Chem.45(22)4816-4827(2002) 2.Kim, S.-H., Kim, D.-H., Byeon, J.-Y., et al.Effects of CYP2C9 genetic polymorphisms on the pharmacokinetics of celecox...
T36969	ARN24139
	ARN24139 is a topoisomerase II poison (IC50= 7.3 μM in a topoisomerase II decatenation assay).1It inhibits proliferation of DU145, HeLa, and A549 cells (IC50s = 4.7, 3.8, and 3.1 μM, respectively). 1.Arencibia, J.M., Brindani, N., Franco-Ulloa, S., et al.Design, synthesis, dynamic docking, biochemical characterization, and in vivo pharmacokinetics studies of novel topoisomerase II poisons with promising antiproliferative activityJ. Med. Chem.63(7)3508-3521(2020)
T36409	Roccellic Acid
	Roccellic acid is a lichen secondary metabolite that has been found in R. montagnei and has antibacterial and anticancer activities.1,2 It is active against the bacteria S. gordonii and P. gingivalis (MIC = 46.9 μg/ml for both).1 Roccellic acid (100 μg/ml) inhibits proliferation of MDA-MB-231, MCF-7, and DLD-1 cancer cells by 65.3, 75.8, and 87.9%, respectively.2 \|1. Sweidan, A., Chollet-Krugler, M., Sauvager, A., et al. Antibacterial activities of natural lichen compounds against Streptococcus ...
T35438	(5E)-7-Oxozeaenol
	(5E)-7-Oxozeaenol is a resorcylic acid lactone that has been found in the fungus MSX 63935 and has enzyme inhibitory and anticancer activities.1,2 It inhibits TGF-β-activated kinase 1 (TAK-1; IC50 = 1.3 μM).1 (5E)-7-Oxozeaenol inhibits proliferation of MCF-7, H460, SF-268, HT-29, and MDA-MB-435 human cancer cells with IC50 values of 4.9, 1.2, 5.6, 4.4, and 5.5 μM, respectively.2 \|1. Fakhouri, L., El-Elimat, T., Hurst, D.P., et al. Isolation, semisynthesis, covalent docking and transforming growt...
T35524	(1S)-Calcitriol
	(1S)-Calcitriol (1α,25-Dihydroxy-3-epi-vitamin-D3) is a natural metabolite of 1α,25-dihydroxyvitamin D3 (1α,25(OH)2D3). (1S)-Calcitriol exhibits potent vitamin D receptor (VDR)-mediated actions such as inhibition of keratinocyte growth or suppression of parathyroid hormone secretion[1]. 3‐epi‐Calcitroic acid is an end product of (1S)-Calcitriol (1α,25-Dihydroxy-3-epi-vitamin-D3; 3‐epi‐1a,25(OH)2D3) metabolism by rat CYP24A1[1]. [1]. Steve Y Rhieu, et al. Metabolic stability of 3-epi-1α,25-dihydr...
T36424	DSPE-PEG(2000)-amine (sodium salt)
	DSPE-PEG(2000)-amine is a PEGylated derivative of 1,2-distearoyl-sn-glycero-3-PE . It has been used in the synthesis of solid lipid and thermosensitive liposomal nanoparticles for the delivery of anticancer agents.1,2,3DSPE-PEG(2000)-amine has also been used in the synthesis of fluorescein isothiocyanate-loaded mesoporous silica nanoparticles for imaging applications.4It can be conjugated to a variety of functional molecules for improved cellular targeting and uptake of DSPE-PEG(2000)-amine-cont...

化合物

Cat.No: T24676

Synonym: PS210AM,PS 210 AM,PS 423,PS210-AM,PS-423

Cat.No: T16450

Target: PDK

Cat.No: T81743

Target: mTOR

Celecoxib Carboxylic Acid

Cat.No: T36187

Cat.No: T36969

Cat.No: T36409

(5E)-7-Oxozeaenol

Cat.No: T35438

(1S)-Calcitriol

Cat.No: T35524

DSPE-PEG(2000)-amine (sodium salt)

Cat.No: T36424

Cat. No.	Product Name	Target	Signaling Pathways
T13206	Tris(2,4-di-tert-butylphenyl)phosphate	Phospholipase	Metabolism
	Tris(2,4-di-tert-butylphenyl)phosphate 是一种从 Vitex negundoL 中分离的活性化合物，能够通过分子对接抑制了分泌性磷脂酶 A2(sPLA2)，具有抗炎作用。
T17143	Toyocamycin 丰加霉素,Vengicide	Apoptosis; Others; IRE1; Antibiotic; Antifungal	Apoptosis; Cell Cycle/Checkpoint; Microbiology/Virology; Others
	Toyocamycin (Vengicide) 是放线菌类产生的腺苷类似物，为 X 盒结合蛋白 1 (XBP1) 抑制剂，抑制 IRE1α 诱导的 ATP 依赖性 XBP1 mRNA 的断裂，IC50值为 80 nM。它还诱导凋亡。
T5S1882	Songorine 准葛尔乌头碱,Napellonine,Zongorine,Bullatine G	Others; GABA Receptor	Membrane transporter/Ion channel; Neuroscience; Others
	Songorine (Napellonine) 是从乌头属中分离出的一种二萜生物碱，具有抗癌、抗心律不齐和抗炎活性。它是大鼠脑中的GABAA 受体拮抗剂，有用于上皮性卵巢癌的研究潜力。
T4969	Guanosine 5'-triphosphate trisodium salt 鸟苷-5'-三磷酸三钠盐,GTP Trisodium salt,5'-GTP trisodium salt	Endogenous Metabolite	Metabolism
	Guanosine 5'-triphosphate trisodium salt (5'-GTP trisodium salt) 为G蛋白(G proteins)信号转导过程中的活化剂。

天然产物

Tris(2,4-di-tert-butylphenyl)phosphate

Cat.No: T13206

Target: Phospholipase

Cat.No: T17143

Synonym: 丰加霉素,Vengicide

Target: Apoptosis, Others, IRE1, Antibiotic, Antifungal

Cat.No: T5S1882

Synonym: 准葛尔乌头碱,Napellonine,Zongorine,Bullatine G

Target: Others, GABA Receptor

Guanosine 5'-triphosphate trisodium salt

Cat.No: T4969

Synonym: 鸟苷-5'-三磷酸三钠盐,GTP Trisodium salt,5'-GTP trisodium salt

Target: Endogenous Metabolite

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