(3S)-N{2-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-6-yl}-3-methyl-N'-[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]piperazine-1-carboximidamide | 470663-16-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (3S)-N{2-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-6-yl}-3-methyl-N'-[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]piperazine-1-carboximidamide
• 英文别名: (3S)-N-[2-[2-(2,4-dimethylphenyl)ethyl]-3H-benzimidazol-5-yl]-3-methyl-N'-[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]piperazine-1-carboximidamide
• CAS: 470663-16-2
• 化学式: C₃₃H₄₆N₆
• 分子量: 526.768
• InChiKey: HZKVEOLNWCNCOS-QJFAFGJBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  68.3
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• Novel guanidino compounds
  申请人：——

  公开号：US20020193595A1

  公开（公告）日：2002-12-19

  Compounds having the general structure I are provided: 1 X and Y are independently selected from the group consisting of CH 2 , N, NR 9 , C═O, C═S, S═O, SO 2 , S, O, (CR 6 R 7 ) n , C(═O)—(CR 6 R 7 ) n , and C(═S)—(CR 6 R 7 ) n , where n is 1, 2, or 3. W is selected from the group consisting of 2 and L is selected from the group consisting of N, O, S, S═O, SO 2 , C(O), NC(O), NC(S), OC(O), OC(S), C(NR 10 ), C(NOR 10 ), and a covalent bond. Z 1 , Z 2 , and Z 3 are independently selected from the group consisting of substituted carbon and nitrogen. Compounds of formula I are agonists of the melanocortin-4 receptor (“MC-4r”) and therefore may have useful properties for controlling diseases related to MC-4r action in humans, such as obesity and type 11 diabetes

  提供具有一般结构I的化合物：其中1X和Y独立地从以下组中选择：CH2、N、NR9、C═O、C═S、S═O、SO2、S、O、(CR6R7)n、C(═O)—(CR6R7)n和C(═S)—(CR6R7)n，其中n为1、2或3。W从以下组中选择：2，L从以下组中选择：N、O、S、S═O、SO2、C(O)、NC(O)、NC(S)、OC(O)、OC(S)、C(NR10)、C(NOR10)和共价键。Z1、Z2和Z3独立地从取代的碳和氮的组中选择。公式I的化合物是黑色素皮质素-4受体（“MC-4r”）的激动剂，因此可能具有控制与MC-4r作用相关的人类疾病（如肥胖症和2型糖尿病）的有用性质。
• Guanidino compounds as melanocortin-4 receptor (MC4-R) agonists
  申请人：Novartis Vaccines and Diagnostics, Inc.

  公开号：EP1767525A1

  公开（公告）日：2007-03-28

  Compounds having general structure I are provided. X and Y are independently selected from the group consisting of CH2, N, NR9, C=O, C=S, S=O, SO2, S, O, (CR6R7)n, C(=O)-(CR6R7)n, and C(=S)-(CR6R7)n, where n is 1, 2, or 3. W is selected from the group consisting of (1a) and (1b). L is selected from the group consisting of N, O, S=O, SO2, C(O), NC(O), NC(S), OC(O), OC(S), C(NR10), C(NOR10), and a covalent bond. Z1, Z2, and Z3 are independently selected from the group consisting of substituted carbon and nitrogen. Compounds of formula I are agonists of the melanocortin-4 receptor (MC-4R) and therefore may have useful properties for controlling diseases related to MC-4R action in humans, such as obesity and type II diabetes.

  提供了具有一般结构 I 的化合物。X 和 Y 独立选自由 CH2、N、NR9、C=O、C=S、S=O、SO2、S、O、(CR6R7)n、C(=O)-(CR6R7)n 和 C(=S)-(CR6R7)n（其中 n 为 1、2 或 3）组成的组。W 选自 (1a) 和 (1b) 所组成的组。L 选自由 N、O、S=O、SO2、C(O)、NC(O)、NC(S)、OC(O)、OC(S)、C(NR10)、C(NOR10) 和共价键组成的组。Z1、Z2 和 Z3 独立选自取代的碳和氮组成的组。式 I 的化合物是黑色素皮质素-4 受体（MC-4R）的激动剂，因此可能具有控制与 MC-4R 作用有关的人类疾病（如肥胖症和 II 型糖尿病）的有用特性。
• EP1385823A4
  申请人：——

  公开号：EP1385823A4

  公开（公告）日：2005-02-16
• EP1385823A1
  申请人：——

  公开号：EP1385823A1

  公开（公告）日：2004-02-04
• GUANIDINO COMPOUNDS AS MELANOCORTIN-4 RECEPTOR (MC4-R) AGONISTS
  申请人：CHIRON CORPORATION

  公开号：EP1385823B1

  公开（公告）日：2006-12-13