3-氯-4-氟苯甲酰胺 | 701-43-9

• 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: 3-氯-4-氟苯甲酰胺
• 英文名称: 3-chloro-4-fluorobenzamide
• 英文别名: 4-carbamoyl-2-chloro-1-fluorobenzene；3-Chlor-4-fluor-benzamid
• CAS: 701-43-9
• 化学式: C₇H₅ClFNO
• 分子量: 173.574
• InChiKey: AEYMQEMBMKCNEG-UHFFFAOYSA-N

物化性质

• 熔点：
  145 °C
• 沸点：
  246.5±30.0 °C(Predicted)
• 密度：
  1.396±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  3-氯-4-氟苯甲酰胺 、 1,3-二氯丙酮 以 1,2-二氯乙烷 为溶剂， 反应 5.0h， 生成 2-(3-Chloro-4-fluorophenyl)-4-(chloromethyl)-1,3-oxazole
  参考文献：
  名称：

  Synthesis and structure–activity relationships of 2-aryl-4-oxazolylmethoxy benzylglycines and 2-aryl-4-thiazolylmethoxy benzylglycines as novel, potent PPARα selective activators- PPARα and PPARγ selectivity modulation

  摘要：

  The synthesis and follow-up SAR studies of our development candidate 1 by incorporating 2-aryl-4-oxazolylmethoxy and 2-aryl-4-thiazolylmethoxy moieties into the oxybenzylglycine framework of the PPAR alpha/gamma dual agonist muraglitazar is described. SAR studies indicate that different substituents on the aryloxazole/thiazole moieties as well as the choice of carbamate substituent on the glycine moiety can significantly modulate the selectivity of PPAR alpha versus PPAR gamma. Potent, highly selective PPAR alpha activators 2a and 2l, as well as PPAR alpha activators with significant PPAR gamma activity, such as 2s, were identified. The in vivo pharmacology of these compounds in preclinical animal models as well as their ADME profiles are discussed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.019

文献信息

• Acetamides and benzamides that are useful in treating sexual dysfunction
  申请人：——

  公开号：US20040029887A1

  公开（公告）日：2004-02-12

  The present invention relates to the use of compounds of formula (I) 1 for the treatment of sexual dysfunction and to compositions containing compounds of formula (I) for the treatment of sexual dysfunction.

  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。
• N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase
  申请人：Combs P. Andrew

  公开号：US20070185165A1

  公开（公告）日：2007-08-09

  The present invention is directed to N-hydroxyamidino compounds which are modulators of indoleamine 2,3-dioxygenase (IDO), as well as pharmaceutical compositions thereof and methods of use thereof relating to the treatment of cancer and other diseases.

  本发明涉及N-羟基酰胺基化合物，其为吲哌酮胺2,3-二氧化酶（IDO）的调节剂，以及与之相关的药物组合物和使用方法，用于治疗癌症和其他疾病。
• [EN] IMIDAZOPYRROLIDINONE COMPOUNDS<br/>[FR] COMPOSÉS IMIDAZOPYRROLIDINONE
  申请人：NOVARTIS AG

  公开号：WO2013111105A1

  公开（公告）日：2013-08-01

  The invention relates to compounds of formula (I): (I) as described herein, pharmaceutical preparations comprising such compounds, uses and methods of use for such compounds in the treatment of a disorder or a disease mediated by the activity of MDM2 and/or MDM4, and combinations comprising such compounds.

  这项发明涉及式(I)的化合物：(I)如本文所述，包括这种化合物的药物制剂，以及在治疗由MDM2和/或MDM4活性介导的疾病或疾病中使用这种化合物的用途和方法，以及包含这种化合物的组合物。
• [EN] HEPATITIS B ANTIVIRAL AGENTS<br/>[FR] AGENTS ANTIVIRAUX DE L'HÉPATITE B
  申请人：NOVIRA THERAPEUTICS INC

  公开号：WO2013096744A1

  公开（公告）日：2013-06-27

  The present invention includes a method of inhibiting, suppressing or preventing HBV infection in an individual in need thereof, comprising administering to the individual a therapeutically effective amount of at least one compound of the invention.

  本发明包括一种抑制、压制或预防需要的人体内HBV感染的方法，包括向个体投给治疗有效量的至少一种本发明的化合物。
• [EN] 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS<br/>[FR] 1H-BENZIMIDAZOLE-5-CARBOXAMIDES COMME AGENTS ANTI-INFLAMMATOIRES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010034796A1

  公开（公告）日：2010-04-01

  There are provided compounds of formula (I), wherein R1, R6, R8, Q2, Q3, Q3a, Q4, L and A have meanings given in the description, and pharmaceutically-acceptable salts thereof, which compounds are useful in the treatment of diseases in which inhibition of the activity of a member of the MAPEG family is desired and/or required, and particularly in the treatment of inflammation and/or cancer.

  提供了具有式（I）的化合物，其中R1、R6、R8、Q2、Q3、Q3a、Q4、L和A的含义如描述中所给，并且其药学上可接受的盐，这些化合物在治疗需要或期望抑制MAPEG家族成员活性的疾病方面是有用的，特别是在炎症和/或癌症的治疗中。