苯甲酰氯,4-[(2,4-二氯苯甲酰)氨基]- | 168080-72-6

• 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: 苯甲酰氯,4-[(2,4-二氯苯甲酰)氨基]-
• 英文名称: 4-(2,4-dichlorobenzoylamino)benzoyl chloride
• 英文别名: 4-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
• CAS: 168080-72-6
• 化学式: C₁₄H₈Cl₃NO₂
• 分子量: 328.582
• InChiKey: SYOJCHZCIOZAOF-UHFFFAOYSA-N

物化性质

• 熔点：
  95-99 °C
• 沸点：
  397.0±42.0 °C(Predicted)
• 密度：
  1.503±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-甲基环己胺 、 苯甲酰氯,4-[(2,4-二氯苯甲酰)氨基]- 在 PS-DIEA resin 作用下， 以 二氯甲烷 为溶剂， 生成 2,4-dichloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide
  参考文献：
  名称：

  Perhydroquinolylbenzamides as Novel Inhibitors of 11β-Hydroxysteroid Dehydrogenase Type 1

  摘要：

  High-throughput screening identified 5 as a weak inhibitor of 11 beta-HSD1. Optimization of the structure led to a series of perhydroquinolylbenzamides, some with low nanomolar inhibitory potency. A tertiary benzamide is required for biological activity and substitution of the terminal benzamide with either electron-donating or -withdrawing groups is tolerated. The majority of the compounds show selectivity of > 20 to > 700-fold over 11 beta-HSD2. Analogues which showed >50% inhibition of 11 beta-HSD1 at 1 mu M in an cellular assay were screened in an ADX mouse model. A maximal response of > 70% reduction of liver corticosterone levels was observed for three compounds; 9m, 25 and 49.

  DOI：

  10.1021/jm058228q
• 作为产物：
  描述：

  2,4-二氯苯甲酰氯 在 sodium hydroxide 、 草酰氯 、 N,N-二异丙基乙胺 、 N,N-二甲基甲酰胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 18.5h， 生成 苯甲酰氯,4-[(2,4-二氯苯甲酰)氨基]-
  参考文献：
  名称：

  Perhydroquinolylbenzamides as Novel Inhibitors of 11β-Hydroxysteroid Dehydrogenase Type 1

  摘要：

  High-throughput screening identified 5 as a weak inhibitor of 11 beta-HSD1. Optimization of the structure led to a series of perhydroquinolylbenzamides, some with low nanomolar inhibitory potency. A tertiary benzamide is required for biological activity and substitution of the terminal benzamide with either electron-donating or -withdrawing groups is tolerated. The majority of the compounds show selectivity of > 20 to > 700-fold over 11 beta-HSD2. Analogues which showed >50% inhibition of 11 beta-HSD1 at 1 mu M in an cellular assay were screened in an ADX mouse model. A maximal response of > 70% reduction of liver corticosterone levels was observed for three compounds; 9m, 25 and 49.

  DOI：

  10.1021/jm058228q

文献信息

• Tricyclic diazepine vasopressin antagonists and oxytocin antagonists
  申请人：American Cyanamid Company

  公开号：US05736540A1

  公开（公告）日：1998-04-07

  Tricyclic diazepines of the formula: ##STR1## wherein A, B, D, E, F, Y and Z are defined in the specification which compounds have vasopressin and oxytocin antagonist activity.

  三环二氮杂苯的化学式为：##STR1## 其中A、B、D、E、F、Y和Z在规范中有定义，这些化合物具有抗利尿激素和催产素拮抗活性。
• Tricyclic benzazepine vasopressin antagonists
  申请人：American Cyanamid Company

  公开号：US05512563A1

  公开（公告）日：1996-04-30

  Tricyclic compounds of the general Formula I: ##STR1## as defined herein which exhibit antagonist activity at V.sub.1 and/or V.sub.2 receptors and exhibit in vivo vasopressin antagonist activity, methods for using such compounds in treating diseases characterized by excess renal reabsorption of water, and processes for preparing such compounds.

  通用式I的三环化合物：##STR1##，如本文所定义，在V.sub.1和/或V.sub.2受体表现出拮抗活性，并在体内表现出抗利尿素拮抗活性，使用这种化合物治疗由肾脏过度重吸水而表现出的疾病的方法，以及制备这种化合物的方法。
• Pyridobenzoxazepine and pyridobenzothiazepine vasopressin antagonists
  申请人：American Cyanamid Company

  公开号：US05686445A1

  公开（公告）日：1997-11-11

  Tricyclic compounds of the general Formula I: ##STR1## as defined herein which exhibit antagonist activity at V.sub.1 and/or V.sub.2 receptors and exhibit in vivo vasopressin antagonist activity, methods for using such compounds in treating diseases characterized by excess renal reabsorption of water, and processes for preparing such compounds.

  通用公式I的三环化合物：##STR1##，如本文所定义，在V.sub.1和/或V.sub.2受体上表现出拮抗活性，并在体内表现出抗利尿素拮抗活性，使用这类化合物治疗由肾脏过度重吸收水分所特征的疾病的方法，以及制备这类化合物的方法。
• HIV protease inhibitors having polyether substituents
  申请人：MERCK & CO. INC.

  公开号：EP0487270A2

  公开（公告）日：1992-05-27

  Polyether derivatives of the form,         A-G-B-B-J    wherein G is a dipeptide isostere substituted with a polyether, B an amino acid or analog thereof, and J a small terminal group are described. These compounds are useful in the inhibition of DIV protease, the prevention or treatment of infection by HIV and the treatment of AIDS, either as compounds, pharmaceutically acceptable salts, pharmaceutical composition ingredients, whether or not in combination with other antivirals, immunomodulators, antibiotics or vaccines. Methods of treating AIDS and methods of preventing or treating infection by HIV are also described.

  描述了形式为A-G-B-B-J的聚醚衍生物，其中G是用聚醚取代的二肽同分异构体，B是氨基酸或其类似物，J是一个小的末端基团。这些化合物在抑制DIV蛋白酶、预防或治疗HIV感染以及治疗艾滋病方面具有用途，无论是作为化合物、药学上可接受的盐、药物组成成分，还是与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。还描述了治疗艾滋病的方法以及预防或治疗HIV感染的方法。
• 4,10-dihydro-5H-thieno[3,2-c][1]benzazepine derivatives and 9,10-dihydro-4H-thieno[2,3-c][1]benzazepine derivatives as orally active arginine vasopressin receptor antagonists
  作者：Venkatesan Aranapakam、J.Donald Albright、George T. Grosu、Peter S. Chan、Joseph Coupet、Trina Saunders、Xun Ru、H. Mazandarani

  DOI：10.1016/s0960-894x(99)00278-4

  日期：1999.7

  Synthesis and structure-activity relationships (SAR) of arginine vasopressin receptor (AVP) antagonists are described. Potent and orally active compounds are prepared when tricyclic 10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine moiety in VPA-985 1 is replaced with a compound 7 or 12. (C) 1999 Elsevier Science Ltd. All rights reserved.