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ICEC0942 mesylate

Catalog No: 204306
CAS Number:
Purity: 98% Min.

 ICEC0942, also known as PPDA-001 and CT7001, is a potent, orally active and selective CDK7 inhbitior. It selectively inhibits CDK7, with an IC50 of 40 nmol/L; IC50 values for CDK1, CDK2, CDK5, and CDK9 were 45-, 15-, 230-, and 30-fold higher. In vitro studies show that a wide range of cancer types are sensitive to CDK7 inhibition with GI50 values ranging between 0.2 and 0.3 μmol/L. In xenografts of both breast and colorectal cancers, the drug has substantial antitumor effects. In addition, combination therapy with tamoxifen showed complete growth arrest of ER-positive tumor xenografts. ICEC0942 may also be effective in other cancers that display characteristics of transcription factor addiction, such as acute leukaemia and small-cell lung cancer.

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Chemical Information

NameICEC0942 mesylate
Iupac Chemical Name(3R,4R)-4-(((7-(Benzylamino)-3-isopropylpyrazolo[1,5&a]pyrimidin-5-yl)amino)methyl)piperidin-3-ol mesylate
SynonymsICEC0942 mesylate; PPDA-001; PPDA-001; PPDA-001; GTPL9903; GTPL-9903; GTPL 9903; ICEC0942; ICEC-0942; ICEC 0942; CT7001; CT-7001; CT 7001;
Molecular Formula C23H34N6O4S
Molecular Weight 490.623
SmileO[C@H]1CNCC[C@@H]1CNC2=NC3=C(C(C)C)C=NN3C(NCC4=CC=CC=C4)=C2.OS(=O)(C)=O
InChiKey TWOCERCUSXLGOS-ZFNKBKEPSA-N
InChi InChI=1S/C22H30N6O.CH4O3S/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29;1-5(2,3)4/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27);1H3,(H,2,3,4)/t17-,19+;/m1./s1
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FormulationSolid powder
Purity98% Min.
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
SolubilitySoluble in DMSO
Handling
Shipping ConditionShipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
HS Code
Coming soon.
Targets
Mechanism
Cell study
Animal study
Clinical study

1: Patel H, Periyasamy M, Sava GP, Bondke A, Slafer BW, Kroll SHB, Barbazanges M, Starkey R, Ottaviani S, Harrod A, Aboagye EO, Buluwela L, Fuchter MJ, Barrett AGM, Coombes RC, Ali S. ICEC0942, an Orally Bioavailable Selective Inhibitor of CDK7 for Cancer Treatment. Mol Cancer Ther. 2018 Jun;17(6):1156-1166. doi: 10.1158/1535-7163.MCT-16-0847. Epub 2018 Mar 15. PubMed PMID: 29545334; PubMed Central PMCID: PMC5985928.

2: Hazel P, Kroll SH, Bondke A, Barbazanges M, Patel H, Fuchter MJ, Coombes RC, Ali S, Barrett AG, Freemont PS. Inhibitor Selectivity for Cyclin-Dependent Kinase 7: A Structural, Thermodynamic, and Modelling Study. ChemMedChem. 2017 Mar 7;12(5):372-380. doi: 10.1002/cmdc.201600535. Epub 2017 Feb 6. Erratum in: ChemMedChem. 2018 Jan 22;13(2):207. PubMed PMID: 28125165.


Chemical Structure

204306 - ICEC0942 mesylate

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