Atrasentan Hydrochloride
Atrasentan HCl · ABT627 · ABT 627 · ABT-627 · A 147627.1 · Abbott 147627 · Unii-E4G31X93za · ABT-627 hydrochloride
식별자 및 물리적 특성
| CAS No. | 195733-43-8 |
|---|---|
| 분자식 | C29H39ClN2O6 |
| 평균 분자량 | 547.1 g/mol |
| 단동위원소 질량 | 546.2496647 g/mol |
| SMILES | CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1.Cl |
| InChIKey | IJFUJIFSUKPWCZ-SQMFDTLJSA-N |
| PubChem CID | 159595 |
| ChEMBL | CHEMBL2106068 |
| DTXSID | DTXSID20173240 |
화학 및 물리적 성질
| 극성 표면적 | 88.5 |
|---|---|
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 7 |
| 회전 가능 결합 수 | 12 |
| 무거운 원자 수 | 38 |
| 형식 전하 | 0 |
| 복잡도 | 734 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| 용해도 | DMSO에 용해됨 |
| 물리적 상태 | 가루 |
| 색상 | Off-white to gray |
| InChIKey | IJFUJIFSUKPWCZ-FZVADPAUNA-N |
| SMILES | C1(=CC2=C(OCO2)C=C1)[C@@H]1[C@@H](C(=O)O)[C@H](C2C=CC(OC)=CC=2)N(CC(N(CCCC)CCCC)=O)C1.Cl |&1:9,10,14,r| |
안전 및 규제
| 수질 위해 등급(WGK) | WGK 3 |
|---|---|
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Atrasentan Hydrochloride is the orally available hydrochloride salt of pyrrolidine-3-carboxylic acid with potential antineoplastic activity. As a selective antagonist of the endothelin-A (ETA) receptor, atrasentan binds selectively to the ETA receptor, which may result in inhibition of endothelin-induced angiogenesis and tumor cell proliferation.
용도
Atrasentan belongs to a pyrrolidine and benzodioxole derivative. It is a selective antagonist of the endothelin-A (ETA) receptor and binds selectively to the ETA receptor, which may result in the inhibition of endothelin-induced angiogenesis and tumor cell proliferation. Its potential therapeutic uses include the treatment of diabetic nephropathies and as an antineoplastic agent.