1-[2-(3-methylbutyroyl)phenyl]-4-[(2R)-(3-aminopropionylamido)-3-(2,4-dichlorophenyl)propionyl]piperazine | 1071482-04-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[2-(3-methylbutyroyl)phenyl]-4-[(2R)-(3-aminopropionylamido)-3-(2,4-dichlorophenyl)propionyl]piperazine
• 英文别名: (R)-3-amino-N-(3-(2,4-dichlorophenyl)-1-(4-(2-(3-methylbutanoyl)phenyl)piperazin-1-yl)-1-oxopropan-2-yl)propanamide；3-amino-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(3-methylbutanoyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]propanamide
• CAS: 1071482-04-6
• 化学式: C₂₇H₃₄Cl₂N₄O₃
• 分子量: 533.498
• InChiKey: XMCIIUVWOCNDSA-HSZRJFAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  95.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 1-[2-(3-methylbutyroyl)phenyl]-4-[(2R)-(3-aminopropionylamido)-3-(2,4-dichlorophenyl)propionyl]piperazine
  参考文献：
  名称：

  Structure–activity relationship studies on a series of piperazinebenzylalcohols and their ketone and amine analogs as melanocortin-4 receptor ligands

  摘要：

  A series of piperazinebenzylalcohols were prepared and studied to compare with their ketone and amine analogs as MC4R antagonists. Several benzylalcohols such as 14a and 14g displayed low nanomolar binding affinities (K-i < 10 nM), and high selectivities over other melanocortin receptor subtypes. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.076

文献信息

• [EN] SUBSTITUTED PIPERAZINE AS MELANOCORTIN RECEPTORS LIGANDS<br/>[FR] UTILISATION DE PIPERAZINES SUBSTITUEES COMME LIGANDS DU RECEPTEUR DE LA MELANOCORTINE
  申请人：NEUROCRINE BIOSCIENCES INC

  公开号：WO2003094918A1

  公开（公告）日：2003-11-20

  Compounds which function as melanocortin receptor ligands and having utility in the treatment of melanocortin receptor-based disorders. The compounds have the following structure (I): including stereoisomers, prodrugs, and pharmaceutically acceptable salts thereof, wherein Ar, R1, R2, R3a, R3b, R4a, R4b, R5, R7a, R7b, q, r, X, Y1, Y2, Y3 and Y4 are as defined herein. Pharmaceutical compositions containing a compound of structure (I), as well as methods relating to the use thereof, are also disclosed.

  化合物可作为黑色素皮质素受体配体并在治疗基于黑色素皮质素受体的疾病中发挥作用。该化合物具有以下结构（I）：包括立体异构体，前药和药学上可接受的盐，其中Ar，R1，R2，R3a，R3b，R4a，R4b，R5，R7a，R7b，q，r，X，Y1，Y2，Y3和Y4如本文所定义。还公开了含有结构（I）的化合物的药物组成物，以及与其使用相关的方法。
• Ligands of melanocortin receptors and compositions and methods related thereto
  申请人：Neurocrine Biosciences, Inc.

  公开号：US20040053933A1

  公开（公告）日：2004-03-18

  Compounds which function as melanocortin receptor ligands and having utility in the treatment of melanocortin receptor-based disorders. The compounds have the following structure (I): 1 including stereoisomers, prodrugs, and pharmaceutically acceptable salts thereof, wherein Ar, R 1 , R 2 , R 3a , R 3b , R 4a , R 4b , R 5 , R 7a , R 7b , q, r, X, Y 1 , Y 2 , Y 3 and Y 4 are as defined herein. Pharmaceutical compositions containing a compound of structure (I), as well as methods relating to the use thereof, are also disclosed.

  具有在治疗基于黑色素细胞素受体的疾病中有用的功能的化合物。这些化合物具有以下结构（I）：包括立体异构体，前药和其药用可接受的盐，其中Ar，R1，R2，R3a，R3b，R4a，R4b，R5，R7a，R7b，q，r，X，Y1，Y2，Y3和Y4如本文所定义。还公开了含有结构（I）化合物的药物组合物，以及与其使用相关的方法。
• SUBSTITUTED PIPERAZINES AS MELANOCORTIN RECEPTOR LIGANDS
  申请人：Neurocrine Biosciences, Inc.

  公开号：EP1503761A1

  公开（公告）日：2005-02-09