アトラセンタン塩酸塩
アトラセンタン塩酸塩 · Atrasentan HCl · ABT627 · ABT 627 · ABT-627 · A 147627.1 · Abbott 147627 · Unii-E4G31X93za
識別子と物理属性
| CAS No. | 195733-43-8 |
|---|---|
| 分子式 | C29H39ClN2O6 |
| 平均分子量 | 547.1 g/mol |
| 単同位体質量 | 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 |
| 現地名 | アトラセンタン塩酸塩 |
化学・物理的性質
| 極性表面積 | 88.5 |
|---|---|
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 7 |
| 回転可能結合数 | 12 |
| 重原子数 | 38 |
| 形式電荷 | 0 |
| 複雑度 | 734 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| 貯蔵条件 | under inert gas (nitrogen or Argon) at 2-8°C |
| 溶解度 | Soluble in DMSO |
| 外観・状態 | Powder |
| 色 | 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| |
安全性と法規制
| 水環境危害等級（WGK） | WGK 3 |
|---|---|
| 貯蔵分類 | 11 - Combustible Solids |
用途
説明
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.
使用
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.