4-(2-氯乙基)吡啶盐酸盐 | 85673-15-0

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 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: 4-(2-氯乙基)吡啶盐酸盐
• 英文名称: 2-(4-pyridyl)ethyl chloride hydrochloride
• 英文别名: 4-(2-chloro-ethyl)-pyridine; hydrochloride；4-(2-Chlor-aethyl)-pyridin; Hydrochlorid；4-(2-Chloroethyl)pyridine hydrochloride；4-(2-chloroethyl)pyridine;hydrochloride
• CAS: 85673-15-0
• 化学式: C₇H₈ClN*ClH
• 分子量: 178.061
• InChiKey: DWCBGHNGQBPOOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.28
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  12.9
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(2-氯乙基)吡啶盐酸盐 、 苯硫酚 在 sodium ethanolate 作用下， 生成 苯基2-(4-吡啶基)乙基硫醚
  参考文献：
  名称：

  2-(4-Pyridyl)ethyl as a protective group for sulfur functionality

  摘要：

  DOI：

  10.1021/jo00375a029
• 作为产物：
  描述：

  4-(2-羟乙基)吡啶 、 氯离子 、 氯化亚砜 以 二氯甲烷 为溶剂， 以The 2-(4-pyridyl)ethyl chloride hydrochloride which forms is isolated by evaporation的产率得到4-(2-氯乙基)吡啶盐酸盐
  参考文献：
  名称：

  Certain pyridine methylthio acetaldehyde derivatives and non-cyclic and

  摘要：

  一系列4-(2-羧甲基硫甲基)吡啶和相关化合物及其医药上可接受的盐被揭示具有抗炎和免疫调节活性。首选化合物包括4-(2-羧甲基硫甲基)吡啶[另名2-(4-吡啶基硫)乙酸]和其(C.sub.1-C.sub.4)烷基酯，以及4-(1-甲醛基硫甲基)吡啶[另名2-(4-吡啶基硫)-乙醛]和其(C.sub.1-C.sub.4)烷基或环状缩醛。这些酸，酯，醛和缩醛也具有作为相应的4-(2-羟乙硫甲基)吡啶的合成中间体的实用性。

  公开号：

  US04371696A1

文献信息

• Tnf-alpha production inhibitors
  申请人：——

  公开号：US20030032623A1

  公开（公告）日：2003-02-13

  A purpose of the present invention is to provide TNF-&agr; production inhibitors being useful as therapeutic agents for autoimmune diseases such as rheumatoid arthritis. Novel compounds having the structure represented by the general formula [1] or salts thereof according to the present invention have excellent TNF-&agr; production inhibitory activities, 1 wherein “A” is —(NR 4 )—, —(CR 5 R 6 )— or —O—, “B” is alkylene or alkenylene, R 1 , R 2 , R 4 , R 5 and R 6 are hydrogen, alkyl, alkenyl, adamantyl or the like, R 3 is aryl or an unsaturated heterocycle, and “X” is oxygen or sulfer respectively.

  本发明的一个目的是提供作为类风湿性关节炎等自身免疫疾病治疗剂有用的TNF-α产生抑制剂。根据本发明具有由通式[1]表示的结构或其盐的新化合物具有出色的TNF-α产生抑制活性， 1 其中“A”为—(NR 4 )—，—(CR 5 R 6 )—或—O—，“B”为烷基或烯烃基，R 1 ，R 2 ，R 4 ，R 5 和R 6 为氢，烷基，烯烃基，金刚烷基或类似物，R 3 为芳基或不饱和杂环，而“X”分别为氧或硫。
• Method of regulating the immune response with pyridine derivatives
  申请人：Pfizer Inc.

  公开号：US04500535A1

  公开（公告）日：1985-02-19

  A series of 4-(2-carboxymethylthiomethyl)pyridines and related compounds, and their pharmaceutically acceptable salts, are disclosed as having immunoregulatory activity. Preferred compounds include 4-(2-carboxymethylthiomethyl)pyridine [alternatively named 2-(4-picolylthio)acetic acid] and (C.sub.1 -C.sub.4)alkyl esters thereof, and 4-(1-formylmethylthiomethyl)-pyridine [alternatively named 2-(4-picolylthio)acetaldehyde] and bis(C.sub.1 -C.sub.4)alkyl or cyclic acetals thereof. These acids, esters, aldehydes and acetals also have utility as intermediates in the synthesis of the corresponding 4-(2-hydroxyethylthiomethyl)pyridines.

  本发明揭示了一系列4-(2-羧甲基硫甲基)吡啶及其相关化合物及其药学上可接受的盐，具有免疫调节活性。优选化合物包括4-(2-羧甲基硫甲基)吡啶[另名2-(4-哌啶甲硫基)乙酸]及其(C.sub.1-C.sub.4)烷基酯，以及4-(1-甲酰甲硫甲基)吡啶[另名2-(4-哌啶甲硫基)乙醛]及其(C.sub.1-C.sub.4)双烷基或环状缩醛。这些酸、酯、醛和缩醛也可作为合成相应的4-(2-羟乙硫甲基)吡啶的中间体而使用。
• Angiogenesis inhibitor
  申请人：Matsuoka Hidehito

  公开号：US20050014800A1

  公开（公告）日：2005-01-20

  An object of the present invention is to find new pharmacological actions of urea compounds having structure represented by the general formula [1]. The urea compounds having the structure represented by the general formula [1] have excellent angiogenesis inhibitory actions. [wherein “A” is —(NR 4 )—, —(CR 5 R 6 )— or —O—, “B” is alkylene or alkenylene, R 1 , R 2 , R 4 , R 5 and R 6 are hydrogen, alkyl, alkenyl, adamantylalkyl or the like, R 3 is aryl or an unsaturated heterocycle, and X is oxygen or sulfur.]

  本发明的目的是寻找具有一般式[1]所代表的结构的尿素化合物的新的药理作用。具有一般式[1]所代表的结构的尿素化合物具有出色的血管生成抑制作用。[其中“A”是-（NR4）-，-（CR5R6）-或-O-，“B”是烷基或烯基，R1，R2，R4，R5和R6为氢，烷基，烯基，金刚烷基或类似物，R3为芳香族或不饱和杂环，X为氧或硫。]
• TNF-a production inhibitors
  申请人：Ban Masakazu

  公开号：US20060229342A1

  公开（公告）日：2006-10-12

  A purpose of the present invention is to provide TNF-α production inhibitors being useful as therapeutic agents for autoimmune diseases such as rheumatoid arthritis. Novel compounds having the structure represented by the general formula [1] or salts thereof according to the present invention have excellent TNF-α production inhibitory activities, wherein “A” is —(NR 4 )—, —(CR 5 R 6 )— or —O—, “B” is alkylene or alkenylene, R 1 , R 2 , R 4 , R 5 and R 6 are hydrogen, alkyl, alkenyl, adamantyl or the like, R 3 is aryl or an unsaturated heterocycle, and “X” is oxygen or sulfer respectively.

  本发明的目的是提供一种TNF-α生产抑制剂，作为治疗自身免疫性疾病，如类风湿性关节炎的治疗剂。根据本发明，具有通式[1]表示的结构或其盐的新化合物具有优异的TNF-α生产抑制活性，其中“A”为—(NR4)—，—(CR5R6)—或—O—，“B”为烷基或烯基，“R1，R2，R4，R5和R6”为氢，烷基，烯基，金刚烷基或类似物，“R3”为芳基或不饱和杂环，而“X”分别为氧或硫。
• TNF-alpha production inhibitors
  申请人：Ban Masakazu

  公开号：US20080182881A1

  公开（公告）日：2008-07-31

  A purpose of the present invention is to provide TNF-α production inhibitors being useful as therapeutic agents for autoimmune diseases such as rheumatoid arthritis. Novel compounds having the structure represented by the general formula [1] or salts thereof according to the present invention have excellent TNF-α production inhibitory activities, wherein A is —(NR 4 )—, —(CR 5 R 6 )— or —O—, B is alkylene or alkenylene, R 1 , R 2 , R 4 , R 5 and R 6 are hydrogen, alkyl, alkenyl, adamantyl or the like, R 3 is aryl or an unsaturated heterocycle, and X is oxygen or sulfer respectively.

  本发明的目的是提供可用作治疗类风湿性关节炎等自身免疫疾病的TNF-α产生抑制剂。根据本发明，具有通式[1]所表示的结构或其盐的新化合物具有出色的TNF-α产生抑制活性，其中A为—(NR4)—、—(CR5R6)—或—O—，B为烷基或烯基烷基，R1、R2、R4、R5和R6为氢、烷基、烯基、金刚烷基或类似物，R3为芳基或不饱和杂环，X分别为氧或硫。