Cp-724714
714 · CP724 · CP-724 · CP 724 · CS-2306 · CP-724714（b） · CP 724714 NEW · CP-724714, 10 mM in DMSO
식별자 및 물리적 특성
| CAS No. | 383432-38-0 |
|---|---|
| 분자식 | C27H27N5O3 |
| 평균 분자량 | 469.5 g/mol |
| 단동위원소 질량 | 469.21138974 g/mol |
| SMILES | COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 |
| InChIKey | LLVZBTWPGQVVLW-SNAWJCMRSA-N |
| PubChem CID | 9874913 |
| ChEMBL | CHEMBL483321 |
| ChEBI | CHEBI:167658 |
| DTXSID | DTXSID401026009 |
화학 및 물리적 성질
| XLogP | 4.3 |
|---|---|
| 극성 표면적 | 98.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 7 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 35 |
| 형식 전하 | 0 |
| 복잡도 | 692 |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| 끓는 점 | 687.3±55.0 °C(Predicted) |
| 밀도 | 1.251 |
| 저장 조건 | Store at -20°C |
| 용해도 | DMF: 3 mg/mlDMF:PBS(pH 7.2)(1:1): 0.5 mg/mlDMSO: 3 mg/mlEthanol: 2 mg/ml |
| 물리적 상태 | 결정성 고체 |
| pKa(산도 계수) | 13.95±0.46(Predicted) |
| 색상 | Light yellow to yellow |
| InChIKey | LLVZBTWPGQVVLW-SNAWJCMRSA-N |
| SMILES | COCC(NC/C=C/C1=CC=C(N=CN=C2NC3=CC=C(OC4=CC=C(C)N=C4)C(C)=C3)C2=C1)=O |
안전 및 규제
| 수질 위해 등급(WGK) | WGK 3 |
|---|---|
| 저장 분류 | 11 - Combustible Solids |
용도
개요
CP 724,714 is a selective inhibitor of HER2/ErbB2 with an IC50 value of 10 nM. It demonstrates greater than 640-fold selectivity against EGFR, InsR, IRG-1R, PDGFR, VEGFR2, Abl, Src, and c-Met. CP 724,714 has been shown to inhibit the proliferation of ErbB2-amplified cells, including BT474 and SK-BR-3 with IC50 values of 0.25 and 0.95 μM, respectively. It also demonstrates antitumor activity in various human tumor xenograft models. However, CP 724,714 was discontinued from clinical development due to hepatotoxicity caused by its ability to inhibit hepatic efflux transporters at low micromolar concentrations.
용도
CP 724714 is a HER-2 tyrosine kinase inhibitor used in tumor treatments for HER2 positive solid tumors.