6-氯-5-甲氧基烟酸 | 915107-39-0

• 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: 6-氯-5-甲氧基烟酸
• 英文名称: 6-chloro-5-methoxynicotinic acid
• 英文别名: 6-chloro-5-methoxypyridine-3-carboxylic acid
• CAS: 915107-39-0
• 化学式: C₇H₆ClNO₃
• 分子量: 187.583
• InChiKey: WJPYILBWBQBKMD-UHFFFAOYSA-N

物化性质

• 熔点：
  188-189℃
• 密度：
  1.43

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312+P330,P302+P352+P312,P304+P340+P312,P305+P351+P338,P337+P313,P363,P403+P233,P405,P501
• 危险性描述：
  H302+H312+H332,H319,H335

反应信息

• 作为反应物：
  描述：

  6-氯-5-甲氧基烟酸 在 草酰氯 、 四甲基氟化铵 、 N,N-二异丙基乙胺 作用下， 以 乙二醇二甲醚 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.17h， 生成 tert-butyl 4-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methoxypyridin-2-yl)-piperazine-1-carboxylate
  参考文献：
  名称：

  Small Molecule Disruptors of the Glucokinase–Glucokinase Regulatory Protein Interaction: 4. Exploration of a Novel Binding Pocket

  摘要：

  Structure-activity relationship investigations conducted at the 5-position of the N-pyridine ring of a series of N-arylsulfonyl-N'-2-pyridinyl-piperazines led to the identification of a novel bis-pyridinyl piperazine sulfonamide (51) that was a potent disruptor of the glucokinase-glucokinase regulatory protein (GK-GKRP) interaction. Analysis of the Xray cocrystal of compound 51 bound to hGKRP revealed that the 3-pyridine ring moiety occupied a previously unexplored binding pocket within the protein. Key features of this new binding mode included forming favorable contacts with the top face of the Ala27-Val28-Pro29 ("shelf region") as well as an edge-to-face interaction with the Tyr24 side chain. Compound Si was potent in both biochemical and cellular assays (IC50 = 0.005 mu M and EC50 = 0.205 mu M, respectively) and exhibited acceptable pharmacokinetic properties for in vivo evaluation. When administered to db/db mice (100 mg/kg, po), compound 51 demonstrated a robust pharmacodynamic effect and significantly reduced blood glucose levels up to 6 h postdose.

  DOI：

  10.1021/jm5001979
• 作为产物：
  描述：

  6-氯-5-甲氧基烟酸甲酯 在 甲醇 、 sodium hydroxide 、 水 、 盐酸 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以74%的产率得到6-氯-5-甲氧基烟酸
  参考文献：
  名称：

  Multi-substituted pyridyl sulfoximines and their use as insecticides

  摘要：

  多取代吡啶基磺酰肼是一种有用的杀虫剂。

  公开号：

  US20080108667A1

文献信息

• TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF
  申请人：Merck Patent GmbH

  公开号：US20160376283A1

  公开（公告）日：2016-12-29

  The present invention relates to compounds of Formula I and pharmaceutically acceptable compositions thereof, useful as TBK/IKKε inhibitors.

  本发明涉及式I化合物及其药用可接受的组合物，用作TBK/IKKε抑制剂。
• [EN] PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS<br/>[FR] DÉRIVÉS DE PYRROLOPYRIDINONE EN TANT QUE BLOQUANTS DES TTX-S
  申请人：RAQUALIA PHARMA INC

  公开号：WO2013161312A1

  公开（公告）日：2013-10-31

  The present invention relates to pyrrolopyridinone derivatives which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of disorders and diseases in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which voltage gated sodium channels are involved.

  本发明涉及吡咯并吡啶酮衍生物，这些衍生物对TTX-S型电压门控钠通道具有阻断作用，并且在治疗或预防涉及电压门控钠通道的疾病和障碍中具有用途。发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物在预防或治疗涉及电压门控钠通道的疾病中的使用。
• Bis-(Sulfonylamino) Derivatives in Therapy 065
  申请人：Bylund Johan

  公开号：US20090131468A1

  公开（公告）日：2009-05-21

  The invention provides compounds of formula wherein R 1 , R 2 , R 3 , A and m are as defined in the specification and optical isomers, racemates and tautomers thereof, and pharmaceutically acceptable salts thereof; together with processes for their preparation, pharmaceutical compositions containing them and their use in therapy. The compounds are inhibitors of microsomal prostaglandin E synthase-1.

  该发明提供了以下式中R1、R2、R3、A和m的化合物，其中R1、R2、R3、A和m的定义如规范中所述，以及其光学异构体、消旋体和互变异构体，以及其药学上可接受的盐；以及它们的制备方法，含有它们的药物组合物以及它们在治疗中的用途。这些化合物是微粒体前列腺素E合成酶-1的抑制剂。
• [EN] BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066<br/>[FR] DÉRIVÉS BIS-(SULFONYLAMINO) DANS UNE THÉRAPIE 066
  申请人：ASTRAZENECA AB

  公开号：WO2009064251A1

  公开（公告）日：2009-05-22

  The invention provides compounds of formula wherein R1, R3, L1, L2, G1, G2, A and m are as defined in the specification and optical isomers, racemates and tautomers thereof, and pharmaceutically acceptable salts thereof; together with processes for their preparation, pharmaceutical compositions containing them and their use in therapy. The compounds are inhibitors of microsomal prostaglandin E synthase-1.

  该发明提供了以下式中R1、R3、L1、L2、G1、G2、A和m的化合物，其中所述化合物的光学异构体、消旋体和互变异构体以及其药学上可接受的盐；以及它们的制备方法、含有它们的药物组合物以及它们在治疗中的用途。这些化合物是微粒体前列腺素E合成酶-1的抑制剂。
• [EN] AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS<br/>[FR] DÉRIVÉS D'AMIDO THIADIAZOLE UTILISÉS EN TANT QU'INHIBITEURS DE NADPH OXYDASE
  申请人：GENKYOTEX SA

  公开号：WO2016098005A1

  公开（公告）日：2016-06-23

  The present invention is related to amino thiazole derivatives of Formula (I), pharmaceutical composition thereof and to their use for the treatment and/or prophylaxis of disorders or conditions related to Nicotinamide adenine dinucleotide phosphate oxidase (NADPH Oxidase).

  本发明涉及式（I）的氨基噻唑衍生物，其药物组合物以及它们在治疗和/或预防与尼古丁胺腺嘌呤二核苷酸磷酸氧化酶（NADPH氧化酶）相关的疾病或症状中的应用。