2-(3-氯-4-硝基-苯基)-丙酸乙酯 | 50537-08-1

• 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: 2-(3-氯-4-硝基-苯基)-丙酸乙酯
• 英文名称: ethyl 2-(3-chloro-4-nitrophenyl)propionate
• 英文别名: ethyl 2-(3-chloro-4-nitrobenzene)propionate；ethyl 2-(3-chloro-4-nitrophenyl)propanoate
• CAS: 50537-08-1
• 化学式: C₁₁H₁₂ClNO₄
• 分子量: 257.674
• InChiKey: ZQYLPVMDRALBFI-UHFFFAOYSA-N

物化性质

• 溶解度：
  易溶于可溶于氯仿、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  2-(3-氯-4-硝基-苯基)-丙酸乙酯 在 吡啶 、 铁粉 、 溶剂黄146 作用下， 反应 0.19h， 生成 ethyl 2-[3-chloro-4-(methylsulfonylamino)phenyl]propionate
  参考文献：
  名称：

  N-4-t-Butylbenzyl 2-(4-methylsulfonylaminophenyl) propanamide TRPV1 antagonists: Structure–activity relationships in the A-region

  摘要：

  Structure-activity relationships for the A-region in a series of N-4-t-butylbenzyl 2-(4-methylsulfonylaminophenyl) propanamides as TRPV1 antagonists have been investigated. Among them, the 3-fluoro analogue 54 showed high binding affinity and potent antagonism for both rTRPV1 and hTRPV1 in CHO cells. Its stereospecific activity was demonstrated with marked selectivity for the (S)-configuration (54S versus 54R). A docking study of 54S with our hTRPV1 homology model highlighted crucial hydrogen bonds between the ligand and the receptor contributing to its potency. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.11.008
• 作为产物：
  描述：

  硝基氯苯 、 2-氯丙酸乙酯 在 potassium tert-butylate 、 盐酸 作用下， 以 N,N-二甲基甲酰胺 、 DMF (N,N-dimethyl-formamide) 、 乙酸乙酯 为溶剂， 反应 2.75h， 以64%的产率得到2-(3-氯-4-硝基-苯基)-丙酸乙酯
  参考文献：
  名称：

  Novel derivatives of benzimidazole and imidazo-pyridine and their use as medicaments

  摘要：

  具有以下结构的化合物及其药用盐具有良好的亲和力，适用于治疗包括疼痛、炎症等在内的疾病，其中取代基如规范中所定义的亚型黑素皮质激素受体。

  公开号：

  US20050065179A1

文献信息

• Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament
  申请人：Poitout Lydie

  公开号：US20060281784A1

  公开（公告）日：2006-12-14

  The invention relates to novel benzimidazole and imidazopyridine derivatives having general formula (I), which have a good affinity with certain sub-types of melanocortin receptors, particularly MC4 receptors. Said derivatives are particularly suitable for the treatment of pathological states and diseases involving one or more melanocortin receptors. The invention also relates to pharmaceutical compositions containing said products.

  本发明涉及具有通式（I）的新型苯并咪唑和咪唑吡啶衍生物，其与某些亚型的黑色素皮质素受体，特别是MC4受体具有良好的亲和力。所述衍生物特别适用于治疗涉及一个或多个黑色素皮质素受体的病理状态和疾病。本发明还涉及含有该产品的制药组合物。
• NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS
  申请人：POITOUT Lydie

  公开号：US20090270372A1

  公开（公告）日：2009-10-29

  A subject of the present Application is novel derivatives of benzimidazole and imidazopyridine which have a good affinity for certain sub-types of melanocortin receptors, in particular the MC4 receptors. They are particularly useful for treating pathological conditions and diseases in which one or more melanocortin receptors are involved. The invention also relates to pharmaceutical compositions containing said products.

  本申请的主题是苯并咪唑和咪唑吡啶的新衍生物，它们对于某些亚型的黑色素皮质素受体，特别是MC4受体具有良好的亲和力。它们特别适用于治疗涉及一个或多个黑色素皮质素受体的病理条件和疾病。本发明还涉及含有上述产物的制药组合物。
• Novel derivatives of benzimidazale and imidazo-pyridine and their use as medicaments
  申请人：Poitout Lydie

  公开号：US20080139619A1

  公开（公告）日：2008-06-12

  A subject of the present application is novel derivatives of benzimidazole and imidazo-pyridine which have a good affinity for certain sub-types of melanocortin receptors, in particular the MC4 receptors. They are particularly useful for treating pathological conditions and diseases in which one or more melanocortin receptors are involved. The invention also relates to pharmaceutical compositions containing said products.

  本申请的主题是苯并咪唑和咪唑吡啶的新衍生物，它们对于某些亚型的黑素皮质素受体，特别是MC4受体具有良好的亲和力。它们特别适用于治疗涉及一个或多个黑素皮质素受体的病理条件和疾病。本发明还涉及含有上述产品的制药组合物。
• Benzimidazole and imidazopyridine derivatives and use thereof as a medicament
  申请人：Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S.)

  公开号：US07355052B2

  公开（公告）日：2008-04-08

  A compound of the formula wherein the substituents are as defined in the specification and pharmaceutical salts thereof having a good affinity for sub-types of melanocortin receptors making them useful for treating diseases in which such receptors are included such as pain, inflammatory conditions, etc.

  一种化合物，其化学式如下，其中取代基如规范中所定义，并且具有良好的亚型黑素皮质素受体亲和力的药物盐，使其可用于治疗包括疼痛、炎症等疾病的亚型黑素皮质素受体的相关疾病。
• Derivatives of benzimidazole and imidazo-pyridine and their use as medicaments
  申请人：Ipsen Pharma S.A.S.

  公开号：US07816539B2

  公开（公告）日：2010-10-19

  A subject of the present Application is novel derivatives of benzimidazole and imidazopyridine which have a good affinity for certain sub-types of melanocortin receptors, in particular the MC4 receptors. They are particularly useful for treating pathological conditions and diseases in which one or more melanocortin receptors are involved. The invention also relates to pharmaceutical compositions containing said products.

  本申请的主题是苯并咪唑和咪唑吡啶的新型衍生物，它们具有良好的亲和力，特别是对MC4受体的某些亚型。它们特别适用于治疗其中一个或多个黑色素皮质素受体参与的病理条件和疾病。本发明还涉及含有所述产品的制药组合物。