1-{(R)-(4-chlorophenyl)[4-(piperazin-2-on-4-yl-methyl)phenyl]methyl}-3-[(3,5-difluorophenyl)(methyl-sulfonyl)methylene]azetidine | 261923-90-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-{(R)-(4-chlorophenyl)[4-(piperazin-2-on-4-yl-methyl)phenyl]methyl}-3-[(3,5-difluorophenyl)(methyl-sulfonyl)methylene]azetidine
• 英文别名: 1{(R)-(4-chlorophenyl)[4-(piperazin-2-one-4-ylmethyl)phenyl]methyl}-3-[(3,5-difluorophenyl)(methylsulfonyl)methylene]azetidine；1-{(R*)-(4-chlorophenyl)[4-(piperazin-2-on-4-ylmethyl)phenyl]methyl}-3-[(3,5-difluorophenyl)(methylsulfonyl)methylene]azetidine；4-[[4-[(R)-(4-chlorophenyl)-[3-[(3,5-difluorophenyl)-methylsulfonylmethylidene]azetidin-1-yl]methyl]phenyl]methyl]piperazin-2-one
• CAS: 261923-90-4
• 化学式: C₂₉H₂₈ClF₂N₃O₃S
• 分子量: 572.075
• InChiKey: YJUZICZHFJUQMC-MUUNZHRXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  78.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-{(R)-[4-(chloromethyl)phenyl](4-chlorophenyl)methyl}-3-[(3,5-difluorophenyl)(methylsulfonyl)methylene]azetidine 、 2-哌嗪酮 在 crude product 、 silica gel 、 二氯甲烷 、 甲醇 作用下， 以 二氯甲烷 为溶剂， 20.0 ℃ 、359.97 kPa 条件下， 反应 96.0h， 以0.022 g of 1-{(R*)-(4-chlorophenyl)[4-(piperazin-2-on-4-ylmethyl)phenyl]methyl}-3-[(3,5-difluorophenyl)(methylsulfonyl)methylene]azetidine, form A isomer, is obtained in the form of a white foam [1H NMR spectrum (400 MHz, CDCl3, δ in ppm): 2.62 (t, J=5.5 Hz, 2H), 2.80 (s, 3H), 3.11 (s, 2H), 3.34 (mt, 2H), 3.51 (s, 2H), 3.85 (mt, 2H), 4.34 (mt, 2H), 4.51 (s, 1H), 5.76 (unresolved complex, 1H), 6.84 (broad t, JHF=9 Hz, 1H), 6.98 (mt, 2H) from 7.20 to 7.40 (mt, 8H)]的产率得到1-{(R)-(4-chlorophenyl)[4-(piperazin-2-on-4-yl-methyl)phenyl]methyl}-3-[(3,5-difluorophenyl)(methyl-sulfonyl)methylene]azetidine
  参考文献：
  名称：

  Acetindine derivatives, their preparation and medicaments containing them

  摘要：

  本发明涉及一种公开的式（1）的氮杂环丙烷衍生物，其光学异构体，其盐，其制备方法以及含有它们的药物。

  公开号：

  US20030162808A1

文献信息

• Azetidine derivatives, their preparation and medicaments containing them
  申请人：——

  公开号：US20020035102A1

  公开（公告）日：2002-03-21

  The invention concerns compounds of formula (1) wherein: R represents a chain (A) or (B); R 1 is methyl or ethyl; R 2 is either an optionally substituted aromatic or an optionally substituted heteroaromatic ring; R 3 and R 4 , identical or different, are either an optionally substituted aromatic or an optionally substituted heteroaromatic ring; R′ represents a hydrogen atom or a —CO—alk radical, their optical isomers, their salts, their preparation and medicines containing them. 1

  本发明涉及通式(1)的化合物，其中：R代表链(A)或(B)；R1是甲基或乙基；R2是可任选取代的芳香环或可任选取代的杂芳香环；R3和R4，相同或不同，是可任选取代的芳香环或可任选取代的杂芳香环；R′代表氢原子或—CO—烷基，它们的光学异构体，它们的盐，它们的制备方法以及含有它们的药物。
• Combination of a CB1 receptor antagonist and of sibutramine, the pharmaceutical compositions comprising them and their use in the treatment of obesity
  申请人：——

  公开号：US20020091114A1

  公开（公告）日：2002-07-11

  The present invention relates to the combination of a CB1 receptor antagonist and of sibutramine, to the pharmaceutical compositions comprising them and to their use in the treatment of obesity.

  本发明涉及CB1受体拮抗剂与西布曲明的组合，涉及包含它们的药物组合物以及它们在治疗肥胖症中的应用。
• AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM
  申请人：Achard Daniel

  公开号：US20060270649A1

  公开（公告）日：2006-11-30

  Disclosed are azetidine derivatives of formula: their optical isomers, their salts, their preparation and medicaments containing them.

  本发明涉及一种式子为的氮杂环丙烷衍生物，包括其光学异构体、其盐、其制备方法以及含有它们的药物。
• Combination of a CB1 receptor antagonist and of sibutramine, the pharmaceutical compositons comprising them and their use in the treatment of obesity
  申请人：Piot-Grosjean Odile

  公开号：US20050032773A1

  公开（公告）日：2005-02-10

  The present invention relates to the combination of a CB1 receptor antagonist and of sibutramine, to the pharmaceutical compositions comprising them and to their use in the treatment of obesity.

  本发明涉及一种 CB1 受体拮抗剂和西布曲明的组合、包含它们的药物组合物以及它们在治疗肥胖症中的用途。
• Combination of a CB1 receptor antagonist and of a product which activates dopaminergic neurotransmission in the brain, the pharmaceutical compositions comprising them and their use in the treatment of parkinson's disease
  申请人：Benavides Jesus

  公开号：US20050107356A1

  公开（公告）日：2005-05-19

  The present invention relates to the combination of one or more CB1 antagonist azetidine derivatives and of one or more products which activate dopaminergic neurotransmission in the brain, to the pharmaceutical compositions comprising them and to their use in the treatment of Parkinson's disease.

  本发明涉及一种或多种 CB1 拮抗剂氮杂环丁烷衍生物与一种或多种激活脑内多巴胺能神经递质的产品的组合、包含它们的药物组合物以及它们在治疗帕金森病中的用途。