2-Amino-1-[3-(5-bromo-4-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-hydroxy-phenyl)-propan-1-one | 781662-13-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-Amino-1-[3-(5-bromo-4-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-hydroxy-phenyl)-propan-1-one
• 英文别名: (2S)-2-amino-1-[(3S)-3-(5-bromo-4-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-hydroxyphenyl)propan-1-one
• CAS: 781662-13-3
• 化学式: C₂₇H₂₅BrN₄O₂
• 分子量: 517.4
• InChiKey: ZOOZSJDDSQWMQP-GOTSBHOMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  95.2
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• TRIPEPTIDYL PEPTIDASE INHIBITORS
  申请人：Breslin Henry Joseph

  公开号：US20110224255A1

  公开（公告）日：2011-09-15

  The present invention is concerned with novel compounds of formula (I) which are inhibitors of a membrane tripeptidyl peptidase responsible for the inactivation of endogenous neuropeptides such as cholecystokinis (CCKs). The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use as a medicine of said compounds. wherein n is an integer 0 or 1; X represents O; S; or —(CR 4 R 5 ) m — wherein m is an integer 1 or 2; R 4 and R 5 are each independently from each other hydrogen or C 1-4 alkyl; R 1 is C 1-6 alkylcarbonyl optionally substituted with hydroxy; C 1-6 alkyloxycarbonyl; aminoC 1-6 alkylcarbonyl wherein the C 1-6 alkyl group is optionally substituted with C 3-6 cycloalkyl; mono- and di(C 1-4 alkyl)aminoC 1-6 alkylcarbonyl; aminocarbonyl substituted with aryl; C 1-6 alkylcarbonyloxyC 1-6 alkylcarbonyl; C 1-6 alkyloxycarbonylaminoC 1-6 alkylcarbonyl wherein the amino group is optionally substituted with C 1-4 alkyl; an amino acid; C 1-6 alkyl substituted with amino; or arylcarbonyl; R 2 is an optionally substituted 5-membered heterocycle, or R 2 is optionally substituted benzimidazole; R 3 is a bivalent radical —CH 2 CH 2 — optionally substituted with halo or phenylmethyl; or R 3 is a bivalent radical of formula

  本发明涉及一种新型化合物（I）的抑制剂，该化合物是一种膜三肽肽酶抑制剂，负责失活内源性神经肽，如胆囊收缩素（CCKs）。本发明还涉及制备这种化合物的方法，包括以该化合物为成分的制药组合物，以及该化合物作为药物的用途。 其中n是0或1的整数；X代表O，S或-（CR4R5）m-，其中m是1或2的整数；R4和R5分别独立地表示氢或C1-4烷基；R1表示C1-6烷基羰基，可选地取代羟基；C1-6烷氧羰基；氨基C1-6烷基羰基，其中C1-6烷基基团可选地取代C3-6环烷基；单和双（C1-4烷基）氨基C1-6烷基羰基；取代芳基的氨基羰基；C1-6烷基羰氧基C1-6烷基羰基；C1-6烷氧羰基氨基C1-6烷基羰基，其中氨基团可选地取代C1-4烷基；氨基酸；取代氨基的C1-6烷基；或芳基羰基；R2是可选地取代的5-成员杂环，或R2是可选地取代的苯并咪唑；R3是可选地取代的双价基团-CH2CH2-，或R3是公式的双价基团
• US7947713B2
  申请人：——

  公开号：US7947713B2

  公开（公告）日：2011-05-24
• US8247432B2
  申请人：——

  公开号：US8247432B2

  公开（公告）日：2012-08-21