3-chloro-2-mercaptobenzoic acid | 17839-51-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-chloro-2-mercaptobenzoic acid
• 英文别名: 3-Chlor-2-mercapto-benzoesaeure；3-chloro-2-sulfanylbenzoic acid
• CAS: 17839-51-9
• 化学式: C₇H₅ClO₂S
• 分子量: 188.635
• InChiKey: MIGXOSUJYNRJJO-UHFFFAOYSA-N

物化性质

• 熔点：
  196-197 °C(Solv: acetic acid (64-19-7))
• 沸点：
  327.9±27.0 °C(Predicted)
• 密度：
  1.490±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 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：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-chloro-2-mercaptobenzoic acid 在 sodium hydroxide 、 sodium acetate 作用下， 以 水 为溶剂， 反应 3.0h， 生成 7-氯苯并[b]噻吩-3(2H)-酮
  参考文献：
  名称：

  Rahman, Loay K. A.; Scrowston, Richard M., Journal of the Chemical Society. Perkin transactions I, 1984, # 3, p. 385 - 390

  摘要：

  DOI：
• 作为产物：
  描述：

  bis(2-carboxy-6-chlorophenyl) disulphide 在 锌 sodium hydroxide 、 盐酸 作用下， 以 溶剂黄146 为溶剂， 反应 4.0h， 生成 3-chloro-2-mercaptobenzoic acid
  参考文献：
  名称：

  Antihypertensive lactams

  摘要：

  一种化合物的化学式为##STR1##其中：R.sub.1独立地为具有1至6个碳原子的低级烷基，具有2至6个碳原子的低级烯基，具有2至6个碳原子的低级炔基，羟基，羟基烷基，烷氧基，硫醇基，硫醇烷基，烷基硫醇基，氨基，氨基烷基，烷基氨基，硝基，氰基，烷酰基，羧基，羧基烷基，羧基烷氧基，卤素，烷基磺酸氧基，烷基磺酰基，磺酰基，磺酰胺基，三氟甲基或亚甲二氧基，其中羟基烷基，硫醇烷基，氨基烷基，羧基烷基，烷氧基，烷基硫醇基，烷基磺酸氧基，烷酰基，羧基烷氧基和羧基烷基中的烷基基团具有1至6个碳原子，n是1至4的整数，R.sub.2选自氢和环烷基的群，其中环烷基含有3至16个碳原子，R.sub.3和R.sub.4为氢，Y为氧，硫，.dbd.NR.sub.1，.dbd.NOR.sub.1或.dbd.N--NH.sub.2，其中R.sub.1如上所定义。这些化合物可用作降压药，并具有抑制血管紧张素转化酶的活性。

  公开号：

  US04347246A1

文献信息

• Aroyl-aminoacids, amides and esters thereof
  申请人：USV Pharmaceutical Corporation

  公开号：US04440941A1

  公开（公告）日：1984-04-03

  Compounds of the structure ##STR1## wherein: Q is oxygen, sulfur or imino. X and Y are hydrogen, halogen, hydroxy, alkoxy, trifluoromethyl, nitro, carboxy, cyano, sulfonamido, sulfhydryl, alkyl, alkenyl, alkynyl, alkanoyl, alkylmercapto, amino, alkylamino, dialkylamino, alkysulfinyl, and alkylsulfonyl and may be the same or different; R.sub.1 is hydrogen, alkanoyl, substituted alkanoyl wherein the substituent is hydroxy, amino or cycloalkyl, aroyl, arylalkanoyl, or cycloalkylcarbonyl, n is an integer from 1 to 4 inclusive, R.sub.2 and R.sub.3 are hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkyl-alkyl, aryl, aralkyl, and substituted derivatives thereof wherein the substituents are hydroxy, amino, alkylamino, dialkylamino, alkoxy, halogen, hydroxy, mercapto, alkylmercapto and nitro, and may be the same or different; M is alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkylalkyl, aryl, aralkyl, and hetero; and Z is hydroxy, amino, alkylamino, dialkylamino, or alkoxy, have angiotensin converting enzyme inhibitory activity.

  结构为##STR1##的化合物，其中：Q是氧、硫或亚胺。X和Y是氢、卤素、羟基、烷氧基、三氟甲基、硝基、羧基、氰基、磺酰胺基、硫醇基、烷基、烯基、炔基、烷酰基、烷基硫基、氨基、烷基氨基、二烷基氨基、烷基亚磺基、烷基磺基，可以相同也可以不同；R.sub.1是氢、烷酰基、取代烷酰基，其中取代基是羟基、氨基或环烷基、芳酰基、芳基烷酰基或环烷基羰基，n是从1到4的整数，R.sub.2和R.sub.3是氢、烷基、烯基、炔基、环烷基、环烷基烷基、芳基、芳基烷基和其取代物，其中取代基是羟基、氨基、烷基氨基、二烷基氨基、烷氧基、卤素、羟基、巯基、烷基巯基和硝基，可以相同也可以不同；M是烷基、烯基、炔基、环烷基、环烷基烷基、芳基、芳基烷基和杂原子基；Z是羟基、氨基、烷基氨基、二烷基氨基或烷氧基，具有抑制血管紧张素转换酶的活性。
• Aroylaminoacid disulfides
  申请人：USV Pharmaceutical Corporation

  公开号：US04479950A1

  公开（公告）日：1984-10-30

  Compounds of the structure ##STR1## wherein: P and Q are independently hydrogen, halo, CF.sub.3, OR.sub.1, SR.sub.1, sulfamoyl, alkyl and NR.sub.1 R.sub.2 ; R.sub.1, and R.sub.2 are independently hydrogen, alkyl, aminoalky, aryl, aralkyl, heteroaryl or cycloalkyl; Y is OH, OR.sub.1, NH.sub.2, or, N(R.sub.1 R.sub.2); and M is alkyl, cycloalkyl, aryl, aminoalkyl, aralkyl, heteroaryl or heterocyclic wherein: the alkyl groups and the alkyl moieties of aminoalkyl, alkoxy and thioalkyl contain from 1 to 6 carbon atoms; the cycloalkyl group contains from 3 to 8 carbon atoms; the aryl group contains from 6 to 10 carbon atoms; the aralkyl group contains from 7 to 16 carbon atoms; and the hetero group is selected from pyrrolidyl, piperidinyl, morpholinyl, pyridyl, quinolinyl, furyl, furfuryl and thienyl; and where Y is a hydroxy, their pharmaceutically acceptable, non-toxic alkali, alkaline earth and amine salts, have angiotensin converting enzyme inhibitory activity.

  结构为##STR1##的化合物，其中：P和Q独立地是氢、卤素、三氟甲基、OR1、SR1、磺胺基、烷基和NR1R2；R1和R2独立地是氢、烷基、氨基烷基、芳基、芳基烷基、杂环芳基或环烷基；Y是OH、OR1、NH2或N(R1R2)；M是烷基、环烷基、芳基、氨基烷基、芳基烷基、杂环芳基或杂环；其中：烷基基团和氨基烷基、烷氧基和硫代烷基的烷基基团含有1至6个碳原子；环烷基基团含有3至8个碳原子；芳基含有6至10个碳原子；芳基烷基含有7至16个碳原子；杂环基选自吡咯基、哌啶基、吗啉基、吡啶基、喹啉基、呋喃基、呋喃基和噻吩基；当Y是羟基时，它们的药学上可接受、无毒的碱、碱土和胺盐具有抑制血管紧张素转换酶的活性。
• CB-1 MODULATING COMPOUNDS AND THEIR USE
  申请人：Olsson Roger

  公开号：US20080090805A1

  公开（公告）日：2008-04-17

  Disclosed herein is a compound of Formula (I). Also disclosed herein is a method of modulating the activity of a cannabinoid receptor using a compound of Formula (I). Furthermore, disclosed herein is a method of treating a disease or condition that would be alleviated, improved or prevented by administration of a compound that modulates a cannabinoid receptor comprising identifying a subject in need thereof and administering to said subject a therapeutically effective amount of a compound of Formula (I). Also disclosed herein are pharmaceutical compositions comprising a compound of Formula (I).

  本文披露了一种化合物的结构式(I)。同时也披露了使用结构式(I)的化合物调节大麻素受体活性的方法。此外，还披露了一种治疗疾病或症状的方法，该疾病或症状可以通过给予调节大麻素受体的化合物得到缓解、改善或预防，包括确定需要该方法的受试者，并向该受试者施用结构式(I)的化合物的治疗有效量。本文还披露了包含结构式(I)的药物组合物。
• CB-1 modulating compounds and their use
  申请人：Olsson Roger

  公开号：US20070105819A1

  公开（公告）日：2007-05-10

  Disclosed herein is a compound of Formula (I). Also disclosed herein is a method of modulating the activity of a cannabinoid receptor using a compound of Formula (I). Furthermore, disclosed herein is a method of treating a disease or condition that would be alleviated, improved or prevented by administration of a compound that modulates a cannabinoid receptor comprising identifying a subject in need thereof and administering to said subject a therapeutically effective amount of a compound of Formula (I). Also disclosed herein are pharmaceutical compositions comprising a compound of Formula (I).

  本文公开了一种公式（I）的化合物。本文还公开了一种使用公式（I）的化合物调节大麻素受体活性的方法。此外，本文还公开了一种治疗疾病或病症的方法，该疾病或病症可以通过给予调节大麻素受体的化合物来缓解、改善或预防，包括识别需要该治疗的受试者，并向该受试者施用公式（I）化合物的治疗有效量。本文还公开了包含公式（I）的化合物的制药组合物。
• HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE
  申请人：Itai Akiko

  公开号：US20100234363A1

  公开（公告）日：2010-09-16

  Disclosed is a compound which is useful as an 11β-hydroxysteroid dehydrogenase type 1 inhibitor. A compound represented by the formula: its pharmaceutically acceptable salt, or a solvate thereof, wherein X is O or S, a broken line and a wavy line represent the presence or the absence of a bond, (i) when a broken line represents the presence of a bond, a wavy line represents the absence of a bond, R 2 and R 3 are each independently hydrogen, halogen, cyano, hydroxy, carboxy, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl or the like, (ii) when a broken line represents the absence of a bond, a wavy line represents the presence of a bond, R 1 and R 4 are each independently hydrogen, halogen or the like, R 2 and R 3 are each independently hydrogen, halogen, cyano, hydroxy, carboxy, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl or the like, and R 5 and R 6 are each independently hydrogen, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl or the like.

  本发明涉及一种化合物，可用作11β-羟基类固醇脱氢酶1型抑制剂。化合物的表示式如下：其药学上可接受的盐或其溶剂化物，其中X为O或S，一条断线和一条波浪线分别表示键的存在或不存在，(i) 当断线表示键的存在时，波浪线表示键的不存在，R2和R3各自独立地表示氢、卤素、氰基、羟基、羧基、可选取代的烷基、可选取代的烯基、可选取代的炔基或类似物，(ii) 当断线表示键的不存在时，波浪线表示键的存在，R1和R4各自独立地表示氢、卤素或类似物，R2和R3各自独立地表示氢、卤素、氰基、羟基、羧基、可选取代的烷基、可选取代的烯基、可选取代的炔基或类似物，而R5和R6各自独立地表示氢、可选取代的烷基、可选取代的烯基、可选取代的炔基或类似物。