tert-butyl (3R,4R)-4-[{[3,5-bis(trifluoromethyl)phenyl](methyl)carbamoyl}(methyl)amino]-3-phenylpiperidine-1-carboxylate | 1218760-08-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: tert-butyl (3R,4R)-4-[{[3,5-bis(trifluoromethyl)phenyl](methyl)carbamoyl}(methyl)amino]-3-phenylpiperidine-1-carboxylate
• 英文别名: tert-butyl (3R,4R)-4-[[[3,5-bis(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-phenylpiperidine-1-carboxylate
• CAS: 1218760-08-7
• 化学式: C₂₇H₃₁F₆N₃O₃
• 分子量: 559.552
• InChiKey: GCIIQRIHDOHOQQ-FCHUYYIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  53.1
• 氢给体数：
  0
• 氢受体数：
  9

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME
  申请人：Shirai Junya

  公开号：US20110178060A1

  公开（公告）日：2011-07-21

  The present invention relates to a compound represented by the formula wherein ring A is a nitrogen-containing heterocycle; ring B is an aromatic ring optionally having substituent(s); ring D is an aromatic ring optionally having substituent(s); L is a group represented by the formula R 2 , R 3 , R 4a and R 4b are each independently a hydrogen atom, an optionally halogenated C 1-6 alkyl group or an optionally halogenated C 3-6 cycloalkyl group, or R 2 and R 3 are optionally bonded via an alkylene chain or an alkenylene chain, or R 4a and R 4b are optionally bonded via an alkylene chain or an alkenylene chain; R 1 is a hydrogen atom or a substituent; m and n are each independently an integer of 0 to 5; m+n is an integer of 2 to 5; and is a single bond or double bond, or a salt thereof; and the like. The compound has a superior tachykinin receptor antagonistic action, and is useful as an agent for the prophylaxis or treatment of various diseases such as lower urinary tract diseases, digestive tract diseases, central neurological disease and the like.

  本发明涉及一种化合物，其表示为式： 其中，环A是一种含氮杂环；环B是一种芳香环，可选地具有取代基；环D是一种芳香环，可选地具有取代基；L是一个代表式为R2、R3、R4a和R4b的基团，其中R2、R3、R4a和R4b各自独立地是氢原子、可选卤代的C1-6烷基或可选卤代的C3-6环烷基，或者R2和R3通过烷基链或烯基链可选地连接，或者R4a和R4b通过烷基链或烯基链可选地连接；R1是氢原子或取代基；m和n各自独立地为0到5的整数；m+n是2到5的整数；以及为单键或双键，或其盐；等等。该化合物具有优良的缩氨酸受体拮抗作用，并可用作预防或治疗各种疾病的药剂，如下尿路疾病、消化道疾病、中枢神经系统疾病等。