{1-(2-chloro-phenyl)-5-(4-chloro-phenyl)-3-[4-(3,5-difluoro-phenoxy)-piperidine-1-carbonyl]-1H-pyrazol-4-yl}-N-cyano-acetamide | 1160756-14-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: {1-(2-chloro-phenyl)-5-(4-chloro-phenyl)-3-[4-(3,5-difluoro-phenoxy)-piperidine-1-carbonyl]-1H-pyrazol-4-yl}-N-cyano-acetamide
• 英文别名: 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3,5-difluorophenoxy)piperidine-1-carbonyl]pyrazol-4-yl]-N-cyanoacetamide
• CAS: 1160756-14-8
• 化学式: C₃₀H₂₃Cl₂F₂N₅O₃
• 分子量: 610.447
• InChiKey: OFKIIPSYXZXNDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Cannabinoid Receptor Modulators
  申请人：Receveur Jean Marie

  公开号：US20100292273A1

  公开（公告）日：2010-11-18

  Compounds of formula (I) are modulators of cannabinoid receptor CB1, useful inter alia for treatment of obesity: Formula (I). Wherein: X is a bond, or a divalent radical selected from —C(R 10 )(R 11 )—*, —C(R 10 )(R 11 )—O—*, —C(R 10 )(R 11 )CH 2 —*, —C(R 10 )(R 11 )CH 2 —O—*, —CH 2 C(R 10 )(R 11 )—*, —CH 2 C(R 10 )(R 11 )—O—*. and —CH 2 —O—C(R 10 )(R 11 )—*, wherein the bond indicated by an asterisk is attached to the pyrazole ring; Z is a carboxyl isostere radical selected from the group specified; R 3 is hydrogen, (C 1 -C)alkyl or (C 1 C 3 )fluoroalkyl; R 4 is a radical of formula -(Alk 1 ) p -(Q 1 ) r (L) s -Q 2 wherein p, r, s, Alk 1 , L, Q 1 and Q 2 are as specified; or R 3 and R 4 taken together with the nitrogen to which they are attached form a cyclic amino ring of 4 to 7 ring atoms which is optionally substituted by a radical of formula -(L) s -Q 2 wherein s, L and Q 2 are as defined above, or by an optional substituent selected from hydroxy, methoxy, —NH 2 —, or mono- or di-(C 1 C 3 )alkylamino; R 5 , R 6 , R 7 and R 8 are each independently selected from hydrogen —F, —Cl, —Br, —CN, (C 1 -C 3 )alkyl, (C 1 C 3 )fluoroalkyl, cyclopropyl, and —OR 9 ; R 10 is hydrogen, (C 1 C 3 )alkyl, hydroxyl or NH 2 , and R 11 is hydrogen or (C 1 -C 3 )alkyl; or R 10 and R 11 taken together with the carbon atom to which they are attached form a (C 3 -C 5 )cycloalkyl ring.

  式(I)的化合物是大麻素受体CB1的调节剂，可用于肥胖症的治疗：式(I)。其中：X是键或二价基团，选择自-C(R10)(R11)-*，-C(R10)(R11)-O- *，-C(R10)(R11)CH2- *，-C(R10)(R11) -O- *，- C(R10)(R11)-*，- C(R10)(R11)-O- *和- -O-C(R10)(R11)-*，其中由星号表示的键连接到吡唑环；Z是羧基异构基团，选择自指定的群组；R3是氢，(C1-C)烷基或(C1C3)氟烷基；R4是式-(Alk1)p-(Q1)r(L)s-Q2的基团，其中p，r，s，Alk1，L，Q1和Q2如所述；或R3和R4与它们所连接的氮一起形成4到7个环原子的环状氨基环，可选地被式-(L)s-Q2的基团或由上述定义的氢氧化物，甲氧基，-NH2-或单或双-(C1C3)烷基氨基取代；R5、R6、R7和R8各自独立地选择自氢，-F，-Cl，-Br，-CN，(C1-C3)烷基，(C1C3)氟烷基，环丙基和-OR9；R10是氢，(C1C3)烷基，羟基或NH2，R11是氢或(C1-C3)烷基；或R10和R11与它们所连接的碳原子一起形成(C3-C5)环烷基环。
• US8173680B2
  申请人：——

  公开号：US8173680B2

  公开（公告）日：2012-05-08