[4-(4-Chloro-3-methylphenyl)-2,2-dimethylchromen-7-yl] trifluoromethanesulfonate | 1110663-49-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 英文名称: [4-(4-Chloro-3-methylphenyl)-2,2-dimethylchromen-7-yl] trifluoromethanesulfonate
• CAS: 1110663-49-4
• 化学式: C₁₉H₁₆ClF₃O₄S
• 分子量: 432.848
• InChiKey: IICJLDUCMJJJHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  61
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• FUSED BICYCLIC COMPOUND
  申请人：Takahashi Yoichi

  公开号：US20100204218A1

  公开（公告）日：2010-08-12

  The present invention provides a novel fused bicyclic compound having an affinity to a receptor of mineral corticoid (MR), shown by the formula [I]: wherein the ring A is a benzene ring having a substituent R 1 , fused to an adjacent 6-membered heterocyclic ring and further optionally having a substituent(s) other than R 1 , R 1 is an alkylsulfonylamino group etc., R 2 and R 3 are (a) the same of different and a hydrogen atom, an alkyl group or a substituted or unsubstituted aryl group, (b) combined each other to form an oxo group or (c) combined each other at its terminal together with the adjacent carbon atom to form a cycloalkyl group, X is a group of ═N—, ═C(R 4 )— or —CH(R 4 )—, R 4 is (a) a hydrogen atom, (b) a cyano group, (c) a halogen atom, (d) an alkyl group, (e) an alkenyl group, (f) a cycloalkyl group (g) an alkanoyl group, (h) a carbamoyl group or (i) a cycloalkenyl group, Ar is an optionally substituted aromatic cyclic group and a dotted line means presence or absence of a double bond, or a pharmaceutically acceptable salt thereof, which is useful as an antihypertensive agent etc.

  本发明提供了一种新的融合双环化合物，具有对矿物质醛固酮受体（MR）的亲和力，其化学式为[I]：其中环A是一个苯环，具有取代基R1，与相邻的6元杂环环融合，并且还可以具有除R1以外的取代基；R1是烷基磺酰氨基等；R2和R3是（a）相同或不同的氢原子，烷基或取代或未取代的芳基；（b）相互结合形成氧代基；或（c）与相邻的碳原子一起结合形成环烷基；X是═N—、═C(R4)—或—CH(R4)—的基团；R4是（a）氢原子；（b）氰基；（c）卤原子；（d）烷基；（e）烯基；（f）环烷基；（g）烷酰基；（h）氨基甲酰基或（i）环烯基；Ar是可选取代的芳香环基；虚线表示双键的存在或不存在；或其药学上可接受的盐，可用作降压剂等。
• US8258131B2
  申请人：——

  公开号：US8258131B2

  公开（公告）日：2012-09-04
• US8410166B2
  申请人：——

  公开号：US8410166B2

  公开（公告）日：2013-04-02