N-(amino(dimethylamino)methylene)-3-(4-chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide

• 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: N-(amino(dimethylamino)methylene)-3-(4-chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide
• 英文别名: N-[amino(dimethylamino)methylidene]-5-(4-chlorophenyl)-N'-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
• 化学式: C₂₅H₂₄Cl₂N₆O₂S
• 分子量: 543.477
• InChiKey: GFPSOIHVITYMOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl N′-((3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(((4-chlorophenyl)sulfonyl)imino)methyl)-carbamimidothioate 、 二甲胺 在 吡啶 作用下， 以40 %的产率得到N-(amino(dimethylamino)methylene)-3-(4-chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide
  参考文献：
  名称：

  Cannabinoformins: Designing Biguanide-Embedded, Orally Available, Peripherally Selective Cannabinoid-1 Receptor Antagonists for Metabolic Syndrome Disorders

  摘要：

  DOI：

  10.1021/acs.jmedchem.3c00599

文献信息

• CANNABINOID RECEPTOR MEDIATING COMPOUNDS
  申请人：The United States of America, as represented by the Secretary, Department of Health and Human Serv

  公开号：US20160257654A1

  公开（公告）日：2016-09-08

  A compound, or a pharmaceutically acceptable salt or ester thereof, comprising (i) a CB 1 receptor mediating scaffold and (ii) a second therapeutic scaffold.

  一种化合物，或其药学上可接受的盐或酯，包括（i）CB1受体介导的支架和（ii）第二个治疗支架。
• Cannabinoid receptor mediating compounds
  申请人：The United States of America, as represented by the Secretary, Department of Health and Human Services

  公开号：US10683270B2

  公开（公告）日：2020-06-16

  A compound, or a pharmaceutically acceptable salt or ester thereof, comprising (i) a CB1 receptor mediating scaffold conjugated to (ii) a second therapeutic scaffold.

  一种化合物或其药学上可接受的盐或酯，包含(i)与(ii)第二治疗支架共轭的 CB1 受体介导支架。
• Cannabinoid receptor mediating iminopyrazole compounds
  申请人：The United States of America, as represented by the Secretary, Department of Health and Human Services

  公开号：US10787419B2

  公开（公告）日：2020-09-29

  A compound, or a pharmaceutically acceptable salt or ester thereof, comprising (i) a CB1 receptor mediating scaffold conjugated to (ii) a second therapeutic scaffold.

  一种化合物或其药学上可接受的盐或酯，包含(i)与(ii)第二治疗支架共轭的 CB1 受体介导支架。
• US9765031B2
  申请人：——

  公开号：US9765031B2

  公开（公告）日：2017-09-19
• [EN] CANNABINOID RECEPTOR MEDIATING COMPOUNDS<br/>[FR] COMPOSÉS POUR LA MÉDIATION D'UN RÉCEPTEUR DES CANNABINOÏDES
  申请人：US HEALTH

  公开号：WO2014078309A1

  公开（公告）日：2014-05-22

  A compound, or a pharmaceutically acceptable salt or ester thereof, comprising (i) a CBi receptor mediating scaffold conjugated to (ii) a second therapeutic scaffold.