N-ethyl-N-(1-{[3-methoxy-4-oxo-5-(pyridin-2-ylmethyl)-4,5-dihydrothieno[3,2-c]quinolin-2-yl]carbonyl}pyrrolidin-3-yl)acetamide trifluoroacetate | 1186232-85-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: N-ethyl-N-(1-{[3-methoxy-4-oxo-5-(pyridin-2-ylmethyl)-4,5-dihydrothieno[3,2-c]quinolin-2-yl]carbonyl}pyrrolidin-3-yl)acetamide trifluoroacetate
• 英文别名: N-ethyl-N-[1-[3-methoxy-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carbonyl]pyrrolidin-3-yl]acetamide;2,2,2-trifluoroacetic acid
• CAS: 1186232-85-8
• 化学式: C₂HF₃O₂*C₂₇H₂₈N₄O₄S
• 分子量: 618.634
• InChiKey: WRKHUMKSKPRHEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.38
• 重原子数：
  43
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  149
• 氢给体数：
  1
• 氢受体数：
  11

文献信息

• FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF
  申请人：FUJII Nobuhiro

  公开号：US20090227561A1

  公开（公告）日：2009-09-10

  The present invention provides a compound having a superior Smo inhibitory activity and lower toxicity, which is sufficiently satisfactory as a pharmaceutical product. The present invention provides a compound represented by the formula wherein ring A is 5- to 7-membered ring optionally having substituent(s), where substituents are optionally bonded to each other to form a ring; X is O, S or NR 1 (R 1 is a hydrogen atom or a hydrocarbon group optionally having substituent(s)); R 2 is carbamoyl optionally having substituent(s); and R 3 is hydroxy optionally having substituent(s), or a salt thereof.

  本发明提供了一种具有优异的Smo抑制活性和较低毒性的化合物，该化合物作为药物产品是完全令人满意的。本发明提供了一种由下式表示的化合物： 其中，环A是5-至7-成员环，可选择地具有取代基，其中取代基可选择地与彼此结合形成环；X是O、S或NR1（R1是氢原子或具有取代基的碳氢基团）；R2是氨基甲酰，可选择地具有取代基；R3是羟基，可选择地具有取代基，或其盐。
• US8217176B2
  申请人：——

  公开号：US8217176B2

  公开（公告）日：2012-07-10
• US8399449B2
  申请人：——

  公开号：US8399449B2

  公开（公告）日：2013-03-19
• [EN] FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF<br/>[FR] DÉRIVÉ HÉTÉROCYCLIQUE FUSIONNÉ ET SON UTILISATION
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2009107850A2

  公开（公告）日：2009-09-03

  The present invention provides a compound having a superior Smo inhibitory activity and lower toxicity, which is sufficiently satisfactory as a pharmaceutical product.The present invention provides a compound represented by the formula (I) wherein ring A is 5- to 7-membered ring optionally having substituent(s), where substituents are optionally bonded to each other to form a ring; X is O, S or NR1 (R1 is a hydrogen atom or a hydrocarbon group optionally having substituent(s)); R2 is carbamoyl optionally having substituent(s); and R3 is hydroxy optionally having substituent(s), or a salt thereof.