NVP-BEP800 NVP-BEP800;2-AMINO-4-(2,4-DICHLORO-5-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE
CAS 847559-80-2 MFCD47559802
化学结构图
SMILES: CCNC(=O)c1cc2c(-c3cc(OCCN4CCCC4)c(Cl)cc3Cl)nc(N)nc2s1
化学属性
| Mol. Formula | C21H23Cl2N5O2S |
|---|---|
| Mol. Weight | 480.41062 |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | NVP-BEP800 |
|---|---|
| Chemical Name Translation | NVP-BEP800;2-AMINO-4-(2,4-DICHLORO-5-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE |
| Chemicalbook ID | CB22506238 |
| Formula | C21H23Cl2N5O2S |
| Synonym | NVP BEP800; NVP-BEP 800; NVP BEP-800; BEP-800; BEP800; BEP 800. |
| IUPAC Name | 2-amino-4-(2,4-dichloro-5-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide |
| InChIKey | WJUNQSYQHHIVFX-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H23Cl2N5O2S/c1-2-25-19(29)17-10-13-18(26-21(24)27-20(13)31-17)12-9-16(15(23)11-14(12)22)30-8-7-28-5-3-4-6-28/h9-11H,2-8H2,1H3,(H,25,29)(H2,24,26,27) |
| Canonical SMILES | O=C(C1=CC2=C(C3=CC(OCCN4CCCC4)=C(Cl)C=C3Cl)N=C(N)N=C2S1)NCC |
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产品应用
- NVP-BEP800, also known as BEP-800, is a novel, fully synthetic, orally bioavailable inhibitor that binds to the NH(2)-terminal ATP-binding pocket of Hsp90. NVP-BEP800 showed activity against a panel of human tumor cell lines and primary human xenografts in vitro at nanomolar concentrations. In A375 melanoma and BT-474 breast cancer cell lines, NVP-BEP800 induced client protein degradation (including ErbB2, B-Raf(V600E), Raf-1, and Akt) and Hsp70 induction.
