(2R,3R,4S)-4-(1,3-苯并二氧戊环-5-基)-1-[2-(二丁基氨基)-2-氧代乙基]-2-(4-甲氧基苯基)吡咯烷-3-羧酸
| 中文名称 | (2R,3R,4S)-4-(1,3-苯并二氧戊环-5-基)-1-[2-(二丁基氨基)-2-氧代乙基]-2-(4-甲氧基苯基)吡咯烷-3-羧酸 |
|---|---|
| 中文同义词 | 阿曲生坦;(2R,3R,4S)-4-(1,3-苯并二氧戊环-5-基)-1-[2-(二丁基氨基)-2-氧代乙基]-2-(4-甲氧基苯基)吡咯烷-3-羧酸;ABT-627; (+)-A 127722; A-147627;(2R,3R,4S)-4-(苯并[D][1,3]二氧杂环-5-基)-1-(2-(二丁基氨基)-2-氧乙基)-2-(4-甲氧基苯基)吡咯烷-3-羧酸;(2R,3R,4S)-4-(苯并[D][1,3]二氧杂环戊烯-5-基)-1-(2-(二丁基氨基)-2-氧代乙基)-2-(4-甲氧基苯基)吡咯烷-3-羧酸;阿曲生坦,10 MM DMSO 溶液 |
| 英文名称 | atrasentan |
| 英文同义词 | atrasentan;(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid;(+)-A 127722;A-147627;(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid;(2S,3S,4R)-4-(1,3-BENZODIOXOL-5-YL)-1-[2-(DIBUTYLAMINO)-2-OXOETHYL]-2-(4-METHOXYPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID;A127722, CID 5310990;Atrasentan (ABT-627) |
| CAS号 | 173937-91-2 |
| 分子式 | C29H38N2O6 |
| 分子量 | 510.62 |
| EINECS号 | |
| 相关类别 | G蛋白偶联受体&G蛋白;医药原料 |
| Mol文件 | 173937-91-2.mol |
| 结构式 | ![(2R,3R,4S)-4-(1,3-苯并二氧戊环-5-基)-1-[2-(二丁基氨基)-2-氧代乙基]-2-(4-甲氧基苯基)吡咯烷-3-羧酸 结构式](CAS/GIF/173937-91-2.gif) |
(2R,3R,4S)-4-(1,3-苯并二氧戊环-5-基)-1-[2-(二丁基氨基)-2-氧代乙基]-2-(4-甲氧基苯基)吡咯烷-3-羧酸 性质
| 熔点 | 122-124° |
|---|---|
| 沸点 | 659.4±55.0 °C(Predicted) |
| 密度 | 1.188±0.06 g/cm3(Predicted) |
| 储存条件 | -20°C Freezer, Under inert atmosphere |
| 溶解度 | 可溶于DMSO（少许）、甲醇（少许） |
| 酸度系数(pKa) | 3.49±0.60(Predicted) |
| 形态 | 固体 |
| 颜色 | 米白色 |
| InChIKey | MOTJMGVDPWRKOC-QPVYNBJUSA-N |
| SMILES | N1(CC(N(CCCC)CCCC)=O)C[C@H](C2=CC=C3OCOC3=C2)[C@@H](C(O)=O)[C@@H]1C1=CC=C(OC)C=C1 |
IC50: 0.055 nM (ET A )
Atrasentan (ABT-627, 0-50 μM) significantly inhibits LNCaP and C4-2b prostate cancer cell growth. ABT-627 in conbination with Taxotere elicits a significantly greater loss of viable prostate cancer cells relative to either agent alone and shows greater degree of down-regulation of the NF-κB DNA binding activity. Atrasentan profoundly induces several CYPs and drug transporters (e.g. 12-fold induction of CYP3A4 at 50 μM). It is a moderate P-gp inhibitor (IC 50 in P388/dx cells=15.1±1.6 μM) and a weak BCRP inhibitor (IC 50 in MDCKII-BCRP cells=59.8±11 μM).
Atrasentan (3 mg/kg, p.o.) inhibits the pressor response induced by big endothelin-1 (1 nmol/kg) in pithed rats. Aatrasentan (ABT-627, 10 mg/kg, i.p.) as well as Taxotere alone inhibited the C4-2b tumor growth within the bone environment to some extent in the SCID-hu model.
安全信息
| 更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
|---|---|---|---|---|---|
| 2025/12/22 | HY-15403 | (2R,3R,4S)-4-(1,3-苯并二氧戊环-5-基)-1-[2-(二丁基氨基)-2-氧代乙基]-2-(4-甲氧基苯基)吡咯烷-3-羧酸 Atrasentan | 173937-91-2 | 1 mg | 516元 |
| 2025/12/22 | HY-15403 | (2R,3R,4S)-4-(1,3-苯并二氧戊环-5-基)-1-[2-(二丁基氨基)-2-氧代乙基]-2-(4-甲氧基苯基)吡咯烷-3-羧酸 Atrasentan | 173937-91-2 | 5 mg | 1200元 |