ICEC0942 free base
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.
仅供研究使用。 我们不向患者出售。
化学信息
| 名称 | ICEC0942 free base |
|---|---|
| Iupac 化学名称 | (3~{R},4~{R})-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol |
| 同义词 | PPDA-001; PPDA-001; PPDA-001; GTPL9903; GTPL-9903; GTPL 9903; ICEC0942; ICEC-0942; ICEC 0942; CT7001; CT-7001; CT 7001; |
| 英文同义词 | PPDA-001; PPDA-001; PPDA-001; GTPL9903; GTPL-9903; GTPL 9903; ICEC0942; ICEC-0942; ICEC 0942; CT7001; CT-7001; CT 7001; |
| 分子式 | C22H30N6O |
| 分子量 | 394.523 |
| Smile | O[C@H]1CNCC[C@@H]1CNC2=NC3=C(C(C)C)C=NN3C(NCC4=CC=CC=C4)=C2 |
| InChiKey | YCVGLKWJKIKVBI-MJGOQNOKSA-N |
| InChi | InChI=1S/C22H30N6O/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/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1 |
| Cas号 | 1805833-75-3 (free base) |
| 相关CAS号 |
订购信息
| 包装 | 价格 | 库存 | 纯度 | 备货期 |
|---|---|---|---|---|
| 大货 | 询价 | 询价 | 询价 |
| 外观性状 | Solid powder |
|---|---|
| 纯度 | 98% Min. |
| 存储 | 0 - 4 C for short term (days to weeks), or -20 C for long term (months). |
| 可溶性 | Soluble in DMSO |
| 处理方式 | |
| 运输条件 | Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs. |
| 海关编码 |
| Targets | |
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| 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.
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