4-氯-3-甲氧基苯甲酰胺 | 630121-76-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氯-3-甲氧基苯甲酰胺
• 英文名称: 4-chloro-3-methoxybenzamide
• CAS: 630121-76-5
• 化学式: C₈H₈ClNO₂
• 分子量: 185.61
• InChiKey: FBRCAMYSBQMVSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-氯-3-甲氧基苯甲酰胺 、 1',2',3',4',5',6'-hexahydro[2,4']bipyridinyl 1-oxide hydrochloride 、 聚合甲醛 在 potassium carbonate 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 4.5h， 以17%的产率得到2-(1-{[(4-chloro-3-methoxybenzoyl)amino]methyl}piperidin-4-yl)pyridinium N-oxide
  参考文献：
  名称：

  Discovery of 3-Methyl-N-(1-oxy-3‘,4‘,5‘,6‘-tetrahydro-2‘H-[2,4‘-bipyridine]-1‘-ylmethyl)benzamide (ABT-670), an Orally Bioavailable Dopamine D₄ Agonist for the Treatment of Erectile Dysfunction

  摘要：

  The goal of this study was to identify a structurally distinct D-4-selective agonist with superior oral bioavailability to our first-generation clinical candidate 1a (ABT-724) for the potential treatment of erectile dysfunction. Arylpiperazines such as (heteroarylmethyl) piperazine 1a, benzamide 2, and acetamides such as 3a,b exhibit poor oral bioavailability. Structure-activity relationship (SAR) studies with the arylpiperidine template provided potent partial agonists such as 4d and 5k that demonstrated no improvement in oral bioavailability. Further optimization with the (N-oxy-2-pyridinyl) piperidine template led to the discovery of compound 6b (ABT-670), which exhibited excellent oral bioavailability in rat, dog, and monkey (68%, 85%, and 91%, respectively) with comparable efficacy, safety, and tolerability to 1a. The N-oxy-2-pyridinyl moiety not only provided the structural motif required for agonist function but also reduced metabolism rates. The SAR study leading to the discovery of 6b is described herein.

  DOI：

  10.1021/jm060662k
• 作为产物：
  描述：

  4-氯-3-甲氧基苯甲酸 以75%的产率得到4-氯-3-甲氧基苯甲酰胺
  参考文献：
  名称：

  Acetamides and benzamides that are useful in treating sexual dysfunction

  摘要：

  本发明涉及使用式(I)的化合物治疗性功能障碍，以及含有式(I)化合物的组合物用于治疗性功能障碍。

  公开号：

  US20040029887A1

文献信息

• DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS
  申请人：Brotherton-Pleiss Christine E.

  公开号：US20100160388A1

  公开（公告）日：2010-06-24

  Compounds of the formula I: or pharmaceutically acceptable salts thereof, wherein m, n, R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein. Also disclosed are methods of making the compounds and using the compounds for treatment of diseases associated with the P2X7 purinergic receptor.

  公式I的化合物：或其药用可接受的盐，其中m、n、R1、R2、R3、R4和R5按本文件定义。还公开了制造这些化合物的方法以及使用这些化合物治疗与P2X7嘌呤能受体相关疾病的方法。
• ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER
  申请人：Liang Chungen

  公开号：US20100216806A1

  公开（公告）日：2010-08-26

  Compounds of formula are HDAC inhibitors. These compounds are useful for the treatment of diseases such as cancer in humans or animals.

  这些化合物的化学式是HDAC抑制剂。这些化合物对于治疗人类或动物的癌症等疾病是有用的。
• [EN] ISOTHIAZOLE DERIVATIVES AS GPR120 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES<br/>[FR] DÉRIVÉS ISOTHIAZOLE UTILES EN TANT QU'AGONISTES DE GPR120 POUR LE TRAITEMENT DU DIABÈTE DE TYPE II
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2015134039A1

  公开（公告）日：2015-09-11

  Disclosed are compounds, compositions and methods for treating of disorders that are affected by the modulation of the GPR120 receptor. Such compounds are represented by Formula (I) as follows: wherein R1, G, and Q are defined herein.

  揭示了一种通过调节GPR120受体而影响的疾病的化合物、组合物和治疗方法。这些化合物由以下式（I）表示：其中R1、G和Q在此处定义。
• Substituted biphenyl-4-carboxylic acid arylamide analogues
  申请人：Bakthavatchalam Rajagopal

  公开号：US20060100245A1

  公开（公告）日：2006-05-11

  Substituted biphenyl-4-carboxylic acid arylamide analogues capable of modulating receptor activity, are provided. Such ligands may be used to modulate receptor activity in vivo or in vitro, and are particularly useful in the treatment of pain and other conditions associated with receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for treating such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了能够调节受体活性的取代联苯-4-羧酸芳香酰胺类似物。这样的配体可以用于体内或体外调节受体活性，并且在治疗与人类、家畜伴侣动物和家畜动物中的受体激活有关的疼痛和其他疾病方面特别有用。提供了用于治疗此类疾病的制药组合物和方法，以及用于受体定位研究的配体使用方法。
• Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues
  申请人：Hutchison Alan

  公开号：US20050182068A1

  公开（公告）日：2005-08-18

  Melanin concentrating hormone receptor ligands (especially 1-benzyl-4-aryl-piperazines, 1-benzyl-4-aryl-piperidines and related compounds), capable of modulating MCH receptor activity, are provided. Such ligands may be used to modulate MCH binding to MCH receptors in vivo or in vitro, and are particularly useful in the treatment of a variety of metabolic, feeding and sexual disorders in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for treating such disorders are provided, as are methods for using such ligands for detecting MCH receptors (e.g., receptor localization studies).

  提供了黑色素浓集激素受体配体（尤其是1-苄基-4-芳基哌嗪，1-苄基-4-芳基哌啶和相关化合物），能够调节MCH受体活性。这样的配体可用于调节体内或体外MCH结合到MCH受体，并且在人类、家养伴侣动物和家畜动物的多种代谢、进食和性疾病治疗中特别有用。提供了用于治疗此类疾病的制药组合物和方法，以及用于检测MCH受体的配体的方法（例如受体定位研究）。