4-(mercaptomethyl)pyridine hydrochloride | 70199-58-5

• 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
• 英文名称: 4-(mercaptomethyl)pyridine hydrochloride
• 英文别名: 4-pyridinemethanethiol hydrochloride；4-pyridylmethanethiol hydrochloride；pyridin-4-ylmethanethiol;hydrochloride
• CAS: 70199-58-5
• 化学式: C₆H₇NS*ClH
• 分子量: 161.655
• InChiKey: BEJMQRKKHMEQII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.93
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  13.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(mercaptomethyl)pyridine hydrochloride 在 tris(dibenzylideneacetone)dipalladium(0) chloroform complex 、 三甲基铝 、 N,N-二异丙基乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 、 正己烷 、 甲苯 为溶剂， 反应 4.0h， 生成 N-(2,3-dihydro-1H-inden-5-yl)-4-(pyridin-4-ylmethylthio)-1H-indole-3-carboxamide
  参考文献：
  名称：

  KDR inhibitor with the intramolecular non-bonded interaction: Conformation–activity relationships of novel indole-3-carboxamide derivatives

  摘要：

  We previously reported that compound 1, having a similar conformation to PTK787 (2) by forming a pseudo ring structure with an intramolecular non-bonded S-O interaction, exhibited a potent inhibitory activity against VEGFR2 tyrosine kinase (KDR).(1) Applying the ideas of pseudo ring formations, we have designed three types of novel indole carboxamide derivatives 5-7 with an intramolecular hydrogen bonding or non-bonded S-O interaction. We describe the design and synthesis of 5-7, and also discuss the relationships of their KDR inhibitory activity and conformations that were stabilized by their intramolecular non-bonded interactions. Crown Copyright (C) 2011 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.063

文献信息

• [EN] PYRIMIDINE SULPHONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS<br/>[FR] COMPOSES
  申请人：ASTRAZENECA AB

  公开号：WO2006024823A1

  公开（公告）日：2006-03-09

  A compound of formula (1), or a pharmaceutically acceptable salt, solvate or in vivo hydrolysable ester thereof and pharmaceutical compositions comprising these, all for use in the treatment of chemokine mediated diseases and disorders.

  公式（1）的化合物，或其药用可接受的盐、溶剂化合物或体内水解酯，以及包括这些化合物的药物组合物，均用于治疗趋化因子介导的疾病和障碍。
• Novel compounds having 4-pyridylalkylthio group as substituent
  申请人：Honda Takahiro

  公开号：US20060194836A1

  公开（公告）日：2006-08-31

  A subject of the present invention is to provide a novel aromatic five- or six-memberd heterocyclic derivative having 4-pyridylalkylthio as a substituent or a salt thereof which is useful as a pharmaceutical. Compound represented by the following general formula [I] or salts thereof are useful as therapeutic agents for diseases in which angiogenesis or augmentation of vascular permeability is involved. In the formula, ring “A” is a benzene ring or an aromatic five- or six-memberd heterocycle which can be fused with a cycloalkane ring, “B” is alkylene, R 1 and R 2 , the same or different, are H, OH, substituted or unsubstituted alkoxy and the like, X and Y, the same or different, are group(s) selected from H, halogen, OH, substituted or unsubstituted alkoxy and the like respectively, p is 0, 1 or 2, and q is 0 or 1.

  本发明的目的是提供一种新的芳香性五元或六元杂环衍生物，其具有4-吡啶基烷硫基取代基或其盐，可作为药物使用。以下通式[I]所表示的化合物或其盐可用作治疗涉及血管生成或增强血管渗透性的疾病的治疗剂。其中，环“A”是苯环或芳香性五元或六元杂环，可以与环状烷基环融合，“B”是烷基，R1和R2，相同或不同，是H、OH、取代或未取代的烷氧基等，X和Y，相同或不同，分别是选择自H、卤素、OH、取代或未取代的烷氧基等的基团，p为0、1或2，q为0或1。
• NOVEL OXADIAZOLE DERIVATIVES AND THIADIAZOLE DERIVATIVES HAVING NEOVASCULARIZATION INHIBITORY ACTIVITY
  申请人：Honda Takahiro

  公开号：US20100016354A1

  公开（公告）日：2010-01-21

  The present invention relates to Compounds represented by the formula (I) or salts thereof. In the formula (I), the ring A represents a benzene ring, a thiophene ring, or a pyridine ring; R a represents a hydrogen atom, a halogen atom, an alkyl group, or an alkoxy group; the ring B represents a pyridine ring, a pyrimidine ring, or a quinoline ring; the ring C represents a benzene ring; a pyridine ring, a quinoline ring, or an isoquinoline ring; X and Y, the same or different, represent an oxygen atom or a sulfur atom, with the proviso that the case X is a sulfur atom and Y is an oxygen atom be excluded; R 1 represents a hydrogen atom, a halogen atom, an amino group, a cycloalkylamino group, an alkylcarbonylamino group, an alkyloxycarbonylamino group, an alkylaminocarbonyl group, or a non-aromatic heterocyclic group; and R 2 and R 2 ′, the same or different, represent a hydrogen atom, a halogen atom, an alkyl group, a halogeno-alkyl group, or a halogeno-alkoxy group.

  本发明涉及由式（I）表示的化合物或其盐。在式（I）中，环A表示苯环，噻吩环或吡啶环；R表示氢原子，卤素原子，烷基或烷氧基；环B表示吡啶环，嘧啶环或喹啉环；环C表示苯环，吡啶环，喹啉环或异喹啉环；X和Y，相同或不同，表示氧原子或硫原子，但X是硫原子且Y是氧原子的情况除外；R1表示氢原子，卤素原子，氨基，环烷基氨基，烷基羰基氨基，烷氧羰基氨基，烷基氨基甲酰基或非芳香族杂环基；而R2和R2'，相同或不同，表示氢原子，卤素原子，烷基，卤代烷基或卤代烷氧基。
• Compounds having a 4-pyridylalkylthio group as a substituent
  申请人：Honda Takahiro

  公开号：US20090286786A1

  公开（公告）日：2009-11-19

  A compound having the following formula [I] or a pharmaceutically acceptable salt thereof: wherein A is benzene or an aromatic five-membered heterocycle which optionally is fused with a cycloalkane ring; B is an alkylene; R 1 and R 2 are hydrogen, hydroxy, alkoxy, aryloxy, alkyl, cycloalkyl, aryl, heterocycle, amino, alkylamino, arylamino or acyl, or R 1 and R 2 join together to form a heterocycle; X and Y are hydrogen, halogen, hydroxy, alkoxy, aryloxy, alkyl, cycloalkyl, aryl, mercapto, alkylthio, arylthio, carboxyl, an ester of carboxyl, an amide of carboxyl, cyano or nitro; p is 0, 1 or 2; and q is 0 or 1. The compound is useful for treating diseases in which angiogenesis or augmentation of vascular permeability is involved.

  一种具有以下式[I]或其药学上可接受的盐的化合物：其中，A是苯或一种芳香五元杂环，该芳香五元杂环可以选择性地与环烷环融合；B是一种烷基；R1和R2是氢、羟基、烷氧基、芳基氧基、烷基、环烷基、芳基、杂环、氨基、烷基氨基、芳基氨基或酰基，或R1和R2结合形成一个杂环；X和Y是氢、卤素、羟基、烷氧基、芳基氧基、烷基、环烷基、芳基、巯基、烷硫基、芳硫基、羧基、羧酸酯、羧酰胺、氰基或硝基；p为0、1或2；q为0或1。该化合物用于治疗与血管生成或血管通透性增加有关的疾病。
• Compounds having 4-pyridylalkylthio group as substituent
  申请人：Santen Pharmaceutical Co., Ltd.

  公开号：US07534802B2

  公开（公告）日：2009-05-19

  A subject of the present invention is to provide a novel aromatic five- or six-memberd heterocyclic derivative having 4-pyridylalkylthio as a substituent or a salt thereof which is useful as a pharmaceutical. Compound represented by the following general formula [I] or salts thereof are useful as therapeutic agents for diseases in which angiogenesis or augmentation of vascular permeability is involved. In the formula, ring “A” is a benzene ring or an aromatic five- or six-memberd heterocycle which can be fused with a cycloalkane ring, “B” is alkylene, R1 and R2, the same or different, are H, OH, substituted or unsubstituted alkoxy and the like, X and Y, the same or different, are group(s) selected from H, halogen, OH, substituted or unsubstituted alkoxy and the like respectively, p is 0, 1 or 2, and q is 0 or 1.

  本发明的一个主题是提供一种新的含有4-吡啶基烷硫基取代基或其盐的芳香五元或六元杂环衍生物，其可用作药物。下列通式[I]所表示的化合物或其盐可用作治疗与血管生成或血管通透性增强有关的疾病的治疗剂。在该式中，环“A”是苯环或可与环状烷环融合的芳香五元或六元杂环，B是烷基，R1和R2，相同或不同，是氢、羟基、取代或未取代的烷氧基等，X和Y，相同或不同，分别是从氢、卤素、羟基、取代或未取代的烷氧基等中选择的基团，p为0、1或2，q为0或1。