PF-573228
PF-228 · CS-253 · PF 573228 · PF-573228, >=98% · PF-573228 ，S2013 · PF-573228[PZ0117] · PF-573228 · PF 573228 USP/EP/BP
식별자 및 물리적 특성
| CAS No. | 869288-64-2 |
|---|---|
| 분자식 | C22H20F3N5O3S |
| 평균 분자량 | 491.5 g/mol |
| 단동위원소 질량 | 491.12389518 g/mol |
| SMILES | CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1 |
| InChIKey | HESLKTSGTIBHJU-UHFFFAOYSA-N |
| PubChem CID | 11612883 |
| ChEMBL | CHEMBL514554 |
| ChEBI | CHEBI:91446 |
| EC No. | 663-602-8 |
| DTXSID | DTXSID10469447 |
화학 및 물리적 성질
| XLogP | 3.2 |
|---|---|
| 극성 표면적 | 121 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 10 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 34 |
| 형식 전하 | 0 |
| 복잡도 | 822 |
| 녹는점 | >242°C (dec.) |
| 밀도 | 1.459 |
| 저장 조건 | 2-8°C |
| 용해도 | DMSO: ≥20mg/mL |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 14.30±0.20(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| InChIKey | HESLKTSGTIBHJU-UHFFFAOYSA-N |
| SMILES | CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 |
안전 및 규제
| GHS 분류 | DangerH301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (97.4%)Eye Irrit. 2 (97.4%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 2811 6.1 / PGIII |
| 위험 문구(R) | 25-36 |
| 위험 표시 | T |
| 안전 문구(S) | 26-45 |
| 위험 등급 | Acute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Focal adhesion kinases (FAKs) are non-receptor tyrosine kinases that play roles in regulating diverse processes, including cell adhesion, spreading, migration, proliferation, and apoptosis. They are overexpressed in many types of cancer. PF-573228 inhibits FAK with IC50 values of 4 and 30-100 nM for a purified recombinant catalytic fragment of FAK and in cultured cells, respectively. It is 50-250-fold selective for FAK over other protein kinases. PF-573228 can inhibit chemotactic and haptotactic migration of cells as well as prevent focal adhesion turnover.
용도
A novel focal adhesion kinase inhibitor that has been shown to suppress the adverse phenotype of endocrine-resistant breast cancer cells and improve endocrine response in endocrine-sensitive cells.