2-氯-4-甲氧基-5-硝基苯甲酸甲酯 | 90537-46-5

• 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: 2-氯-4-甲氧基-5-硝基苯甲酸甲酯
• 英文名称: methyl 2-chloro-4-methoxy-5-nitrobenzoate
• 英文别名: 2-Chlor-4-methoxy-5-nitro-benzoesaeure-methylester
• CAS: 90537-46-5
• 化学式: C₉H₈ClNO₅
• 分子量: 245.619
• InChiKey: CTRKTHJHCFTDHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-氯-4-甲氧基-5-硝基苯甲酸甲酯 在 盐酸 、 tin(ll) chloride 、 potassium hydroxide 、 sodium nitrite 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 8.0h， 生成 2-chloro-5-hydrazinyl-4-methoxybenzoic acid hydrochloride
  参考文献：
  名称：

  Identification, Optimization, and Pharmacology of Acylurea GHS-R1a Inverse Agonists

  摘要：

  Ghrelin plays a major physiological role in the control of food intake, and inverse agonists of the ghrelin receptor (GHS-R1a) are widely considered to offer utility as antiobesity agents by lowering the set-point for hunger between meals. We identified an acylurea series of ghrelin modulators from high throughput screening and optimized binding affinity through structure activity relationship studies. Furthermore, we identified specific substructural changes, which switched partial agonist activity to inverse agonist activity, and optimized physicochemical and DMPK properties to afford the non-CNS penetrant inverse agonist 22 (AZ-GHS-22) and the CNS penetrant inverse agonist 38 (AZ-GHS-38). Free feeding efficacy experiments showed that CNS exposure was necessary to obtain reduced food intake in mice, and it was demonstrated using GHS-R1a null and wild-type mice that this effect operates through a mechanism involving GHS-R1a.

  DOI：

  10.1021/jm500610n
• 作为产物：
  描述：

  2,4-二氯-5-硝基苯甲酸 在 硫酸 作用下， 生成 2-氯-4-甲氧基-5-硝基苯甲酸甲酯
  参考文献：
  名称：

  537. 3-硝基亚苄基二氯化物的异常亲核取代

  摘要：

  DOI：

  10.1039/jr9640002806

文献信息

• [EN] BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS<br/>[FR] AGENTS THÉRAPEUTIQUES - 802
  申请人：ASTRAZENECA AB

  公开号：WO2009047558A1

  公开（公告）日：2009-04-16

  A compound of formula (I) or a pharmaceutically acceptable salt thereof in which R1, R2 , R3, R4 and m are as described in the specification for use in the treatment of obesity and/or diabetes.

  化合物的分子式（I）或其药用盐，其中R1、R2、R3、R4和m如说明书中所述，用于治疗肥胖和/或糖尿病。
• THERAPEUTIC AGENTS
  申请人：ALLEN Jack McQueen

  公开号：US20120115845A1

  公开（公告）日：2012-05-10

  A compound of formula I or a pharmaceutically acceptable salt thereof in which R 1 , R 2 , R 3 , R 4 and m are as described in the specification for use in the treatment of obesity and/or diabetes.

  公式I的化合物或其药学上可接受的盐，其中R1、R2、R3、R4和m如说明书所述，用于治疗肥胖症和/或糖尿病。
• BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS
  申请人：Allen Jack McQueen

  公开号：US20110124621A1

  公开（公告）日：2011-05-26

  A compound of formula I or a pharmaceutically acceptable salt thereof in which R 1 , R 2 , R 3 , R 4 and m are as described in the specification for use in the treatment of obesity and/or diabetes.

  化合物I的式或其药学上可接受的盐，其中R1、R2、R3、R4和m如规范所述，用于治疗肥胖和/或糖尿病。
• 2-biphenylamino-4-aminopyrimidine derivatives as kinase inhibitors
  申请人：Marsilje Thomas H.

  公开号：US08440681B2

  公开（公告）日：2013-05-14

  The invention provides novel pyrimidine derivatives of formula (1) and pharmaceutical compositions thereof, and methods for using such compounds. For example, the pyrimidine derivatives of the invention may be used to treat, ameliorate or prevent a condition which responds to inhibition of insulin-like growth factor (IGF-1R) or anaplastic lymphoma kinase (ALK).

  本发明提供了式（1）的新型嘧啶衍生物及其制药组合物，以及使用这些化合物的方法。例如，本发明的嘧啶衍生物可用于治疗、改善或预防对胰岛素样生长因子（IGF-1R）或间变性淋巴瘤激酶（ALK）抑制有反应的疾病。
• 2-BIPHENYLAMINO-4-AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS
  申请人：Marsilje Thomas H.

  公开号：US20100298295A1

  公开（公告）日：2010-11-25

  The invention provides novel pyrimidine derivatives of formula (1) and pharmaceutical compositions thereof, and methods for using such compounds. For example, the pyrimidine derivatives of the invention may be used to treat, ameliorate or prevent a condition which responds to inhibition of insulin-like growth factor (IGF-1R) or anaplastic lymphoma kinase (ALK).

  本发明提供了公式（1）的新型嘧啶衍生物及其制药组合物和使用这些化合物的方法。例如，本发明的嘧啶衍生物可用于治疗、改善或预防对胰岛素样生长因子（IGF-1R）或间变性淋巴瘤激酶（ALK）抑制有反应的疾病。