6-chloro-N-[4-(3-dimethylamino-pyrrolidin-1-yl)-phenyl]-nicotinamide | 748183-91-7

• 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: 6-chloro-N-[4-(3-dimethylamino-pyrrolidin-1-yl)-phenyl]-nicotinamide
• 英文别名: 6-chloro-N-[4-(3-dimethylaminopyrrolidin-1-yl)phenyl]nicotinamide；6-chloro-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridine-3-carboxamide
• CAS: 748183-91-7
• 化学式: C₁₈H₂₁ClN₄O
• 分子量: 344.844
• InChiKey: IPJZBODIRKRBGQ-UHFFFAOYSA-N

物化性质

• 沸点：
  458.7±45.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  48.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-chloro-N-[4-(3-dimethylamino-pyrrolidin-1-yl)-phenyl]-nicotinamide 、 4-甲氧基苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 N-[4-(3-Dimethylamino-pyrrolidin-1-yl)-phenyl]-6-(4-methoxy-phenyl)-nicotinamide
  参考文献：
  名称：

  1-(4-Amino-phenyl)-pyrrolidin-3-yl-amine and 6-(3-amino-pyrrolidin-1-yl)-pyridin-3-yl-amine derivatives as melanin-concentrating hormone receptor-1 antagonists

  摘要：

  Derivatives of 1-(4-amino-phenyl)-pyrrolidin-3-yl-amine and 6-(3-amino-pyrrolidin-1-yl)-pyridin-3-yl-amine were identified as potent and functionally active MCH-R1 antagonists. One compound with K-i = 2.3 nM demonstrated good oral bioavailability (32%) and in vivo efficacy in rats. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.130
• 作为产物：
  描述：

  3-(二甲氨基)吡咯烷 在 sodium dithionite 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 2.5h， 生成 6-chloro-N-[4-(3-dimethylamino-pyrrolidin-1-yl)-phenyl]-nicotinamide
  参考文献：
  名称：

  1-(4-Amino-phenyl)-pyrrolidin-3-yl-amine and 6-(3-amino-pyrrolidin-1-yl)-pyridin-3-yl-amine derivatives as melanin-concentrating hormone receptor-1 antagonists

  摘要：

  Derivatives of 1-(4-amino-phenyl)-pyrrolidin-3-yl-amine and 6-(3-amino-pyrrolidin-1-yl)-pyridin-3-yl-amine were identified as potent and functionally active MCH-R1 antagonists. One compound with K-i = 2.3 nM demonstrated good oral bioavailability (32%) and in vivo efficacy in rats. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.130

文献信息

• Substituted N-aryl heterocycles, process for their preparation and their use as medicaments
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US20040220191A1

  公开（公告）日：2004-11-04

  The invention relates to substituted N-aryl heterocycles and to the physiologically tolerated salts and physiologically functional derivatives thereof. Compounds of the formula I 1 in which the radicals have the stated meanings, the N-oxides and the physiologically tolerated salts thereof and process for the preparation thereof are described. The compounds are suitable for example as anorectic agents.

  这项发明涉及取代N-芳基杂环化合物及其生理耐受盐和生理功能衍生物。式I的化合物 1 其中基团具有所述含义，其N-氧化物及其生理耐受盐以及其制备方法被描述。这些化合物例如适用作为厌食剂。
• Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments
  申请人：Schwink Lothar

  公开号：US20070207991A1

  公开（公告）日：2007-09-06

  The invention relates to substituted N-aryl heterocycles and to the physiologically tolerated salts and physiologically functional derivatives thereof. Compounds of the formula I in which the radicals have the stated meanings the N-oxides and the physiologically tolerated salts thereof and process for the preparation thereof are described. The compounds are suitable for example as anorectic agents.

  该发明涉及取代的N-芳基杂环化合物及其生理耐受盐和生理功能衍生物。描述了公式I中化合物，其中基团具有所述的含义，以及其N-氧化物和生理耐受盐和其制备方法。这些化合物例如适用于作为抑制食欲的药物。
• [DE] SUBSTITUIERTE N-ARYLHETEROZYKLEN, VERFAHREN ZU IHRER HERSTELLUNG UND IHRE VERWENDUNG ALS ARZNEIMITTEL<br/>[EN] SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS<br/>[FR] N-ARYLHETEROCYCLES SUBSTITUES, PROCEDE DE PRODUCTION ET UTILISATION DE CES DERNIERS EN TANT QUE MEDICAMENTS
  申请人：AVENTIS PHARMA GMBH

  公开号：WO2004072025A3

  公开（公告）日：2004-12-23
• SUBSTITUIERTE N-ARYLHETEROZYKLEN, VERFAHREN ZU IHRER HERSTELLUNG UND IHRE VERWENDUNG ALS ARZNEIMITTEL
  申请人：Sanofi-Aventis Deutschland GmbH

  公开号：EP1597228A2

  公开（公告）日：2005-11-23
• US7223788B2
  申请人：——

  公开号：US7223788B2

  公开（公告）日：2007-05-29