Chemical Compound
2-amino-4-((5aS,6S,9R)-3-chloro-1-fluoro-13-(((2R,7aS)-(5,5-2H2)-2-fluorohexahydro-1H-pyrrolizin-7a-yl)((2H2)methoxy))-5a,6,7,8,9,10-hexahydro-5H-6,9-epiminoazepino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2-yl)benzo[b]thiophene-3-carbonitrile, atropisomer 1 (compound I-27-1)
Primary record
2-amino-4-((5aS,6S,9R)-3-chloro-1-fluoro-13-(((2R,7aS)-(5,5-2H2)-2-fluorohexahydro-1H-pyrrolizin-7a-yl)((2H2)methoxy))-5a,6,7,8,9,10-hexahydro-5H-6,9-epiminoazepino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2-yl)benzo[b]thiophene-3-carbonitrile, atropisomer 1 (compound I-27-1)
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 172177746
- SMILES
- C1C[C@]2(C[C@H](CN2C1)F)COC3=NC4=C5C(=C(C(=C4F)C6=C7C(=CC=C6)SC(=C7C#N)N)Cl)OC[C@@H]8[C@@H]9CC[C@@H](N9)CN8C5=N3
- Canonical SMILES
- N#Cc1c(N)sc2cccc(-c3c(Cl)c4c5c(nc(OC[C@@]67CCCN6C[C@H](F)C7)nc5c3F)N3C[C@H]5CC[C@H](N5)[C@H]3CO4)c12
名称与同义词
- BDBM699134
- BDBM699135
- BDBM699154
- BDBM699157
- BDBM699162
- US20240327425, Compound I-7
- US20240327425, Compound I-7-1
- US20240327425, Compound I-20-2
- US20240327425, Compound I-24-1
- US20240327425, Compound I-27-2
- 2-amino-4-((5aS,6S,9R)-3-chloro-1-fluoro-13-(((2R,7aS)-(5,5-2H2)-2-fluorohexahydro-1H-pyrrolizin-7a-yl)((2H2)methoxy))-5a,6,7,8,9,10-hexahydro-5H-6,9-epiminoazepino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2-yl)benzo[b]thiophene-3-carbonitrile, atropisomer 1 (compound I-27-1)
- 2-amino-4-((5aS,6S,9R)-3-chloro-1-fluoro-13-(((2R,7aS)-(5,5-2H2)-2-fluorohexahydro-1H-pyrrolizin-7a-yl)(methoxy)-5a,6,7,8,9,10-hexahydro-5H-6,9-epiminoazepino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2-yl)benzo[b]thiophene-3-carbonitrile, atropisomer 1 (compound I-20-1)
- Synthesis of 2-amino-4-((5aS,6S,9R)-3-chloro-1-fluoro-13-(((2R,7aS)-2-fluorohexahydro-1H-pyrrolizin-7a-yl)methoxy)-5a,6,7,8,9,10-hexahydro-5H-6,9-epiminoazepino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2-yl)benzo[b]thiophene-3-carbonitrile ditrifluoroacetate