5-氯-6-氧代-1H-吡啶-2-羧酸 | 103997-21-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 5-氯-6-氧代-1H-吡啶-2-羧酸
• 中文别名: 5-氯-6-氧代-1,6-二氢吡啶-2-羧酸
• 英文名称: 5-chloro-6-oxo-1,6-dihydropyridine-2-carboxylic acid
• 英文别名: 5-chloro-6-oxo-1H-pyridine-2-carboxylic acid
• CAS: 103997-21-3
• 化学式: C₆H₄ClNO₃
• 分子量: 173.556
• InChiKey: GJCDETCQSYSYFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 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：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  (1S,2S)-1-(4-fluorophenyl)-1-(6-fluoro-pyridin-3-yl)-1,2-propanediamine 、 5-氯-6-氧代-1H-吡啶-2-羧酸 在 吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Discovery of pyridone-containing imidazolines as potent and selective inhibitors of neuropeptide Y Y5 receptor

  摘要：

  A series of 2-pyridone-containing imidazoline derivatives was synthesized and evaluated as neuropeptide Y Y5 receptor antagonists. Optimization of the 2-pyridone structure on the 2-position of the imidazoline ring led to identification of 1-(difluoromethyl)-5-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoropyridin- 3-yl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl] pyridin-2(1H)-one (7m). Compound 7m displayed statistically significant inhibition of food intake in an agonist-induced food intake model in SD rats and no adverse cardiovascular effects in anesthetized dogs. In addition, markedly higher brain penetrability and a lower plasma Occ90 value were observed in P-gp-deficient mdr1a (-/-) mice compared to mdr1a (+/+) mice after oral administration of 7m. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.05.069
• 作为产物：
  描述：

  5,6-二氯吡啶-2-腈 在 水 、 potassium hydroxide 、 盐酸 作用下， 反应 2.0h， 以52%的产率得到5-氯-6-氧代-1H-吡啶-2-羧酸
  参考文献：
  名称：

  Discovery of pyridone-containing imidazolines as potent and selective inhibitors of neuropeptide Y Y5 receptor

  摘要：

  A series of 2-pyridone-containing imidazoline derivatives was synthesized and evaluated as neuropeptide Y Y5 receptor antagonists. Optimization of the 2-pyridone structure on the 2-position of the imidazoline ring led to identification of 1-(difluoromethyl)-5-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoropyridin- 3-yl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl] pyridin-2(1H)-one (7m). Compound 7m displayed statistically significant inhibition of food intake in an agonist-induced food intake model in SD rats and no adverse cardiovascular effects in anesthetized dogs. In addition, markedly higher brain penetrability and a lower plasma Occ90 value were observed in P-gp-deficient mdr1a (-/-) mice compared to mdr1a (+/+) mice after oral administration of 7m. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.05.069

文献信息

• MNK INHIBITORS AND METHODS RELATED THERETO
  申请人：eFFECTOR Therapeutics, Inc.

  公开号：US20160317536A1

  公开（公告）日：2016-11-03

  The present invention relates to compounds according to Formula (I): or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , R 4a , R 4b , R 5 , R 6 , R 7 , R 8 , W 1 , W 2 , Y and n are as defined herein. Also described are pharmaceutically acceptable compositions of Formula I compounds as well as methods for utilizing the compounds of Formula I and the pharmaceutically acceptable compositions of Formula I compounds as inhibitors of Mnk as well as therapeutics for the treatment of diseases such as cancer.

  本发明涉及按照式（I）表示的化合物：或其立体异构体、互变异构体或药学上可接受的盐，其中R1、R2、R3、R4a、R4b、R5、R6、R7、R8、W1、W2、Y和n如本文所定义。还描述了按照式（I）化合物的药学上可接受的组合物，以及利用式（I）化合物和药学上可接受的式（I）化合物组合物作为Mnk抑制剂以及治疗癌症等疾病的治疗剂的方法。
• Mnk inhibitors and methods related thereto
  申请人：eFFECTOR Therapeutics, Inc.

  公开号：US09382248B2

  公开（公告）日：2016-07-05

  The present invention relates to compounds according to Formula (I): or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof, wherein R1, R2, R3, R4a, R4b, R5, R6, R7, R8, W1, W2, Y and n are as defined herein. Also described are pharmaceutically acceptable compositions of Formula I compounds as well as methods for utilizing the compounds of Formula I and the pharmaceutically acceptable compositions of Formula I compounds as inhibitors of Mnk as well as therapeutics for the treatment of diseases such as cancer.

  本发明涉及按照式（I）的化合物：或其立体异构体、互变异构体或药学上可接受的盐，其中R1、R2、R3、R4a、R4b、R5、R6、R7、R8、W1、W2、Y和n如本文所定义。还描述了按式I的化合物的药学上可接受的组成物，以及利用式I的化合物和式I化合物的药学上可接受的组成物作为Mnk抑制剂和治疗癌症等疾病的治疗剂的方法。
• US4594422A
  申请人：——

  公开号：US4594422A

  公开（公告）日：1986-06-10
• US9382248B2
  申请人：——

  公开号：US9382248B2

  公开（公告）日：2016-07-05
• US9669031B2
  申请人：——

  公开号：US9669031B2

  公开（公告）日：2017-06-06