2-mercapto-3-methoxybenzoic acid | 83596-91-2

• 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: 2-mercapto-3-methoxybenzoic acid
• 英文别名: 3-methoxy-2-mercaptobenzoic acid；3-methoxy-2-sulfanylbenzoic acid
• CAS: 83596-91-2
• 化学式: C₈H₈O₃S
• 分子量: 184.216
• InChiKey: FTQMNOFVPBFDPF-UHFFFAOYSA-N

物化性质

• 沸点：
  340.7±32.0 °C(Predicted)
• 密度：
  1.329±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  47.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-mercapto-3-methoxybenzoic acid 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 (2-Mercapto-3-methoxyphenyl)methanol
  参考文献：
  名称：

  Novel Diarylthioether Compounds as Agents for the Treatment of Chagas Disease

  摘要：

  DOI：

  10.1021/acs.jmedchem.2c01725
• 作为产物：
  描述：

  3-甲氧基水杨酸 在 sodium hydroxide 、 氯化亚砜 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-mercapto-3-methoxybenzoic acid
  参考文献：
  名称：

  苯并噻吩并[3,2-b]呋喃衍生物作为一类新的IKKbeta抑制剂的合成与结构活性关系研究。

  摘要：

  作为一类新型的IKKbeta抑制剂，根据已知的噻吩IKKbeta抑制剂的结构设计和合成了一系列三环呋喃衍生物。在各种合成的融合呋喃衍生物中，苯并噻吩并[3,2-b]呋喃衍生物13a在酶和细胞分析中显示出对IKKbeta的有效抑制活性。有效的抑制活性源自分子内的非键合S ... O相互作用，这已通过JNK3的16k X射线结构得到证实。在核心结构上引入其他取代基导致发现了6-烷氧基衍生物，该衍生物具有与13a相当的IKKbeta抑制活性，并具有改善的代谢稳定性。其中，发现适当的亲脂性化合物16a，h，i和13g（log D> 2）具有良好的口服生物利用度。

  DOI：

  10.1248/cpb.55.613

文献信息

• 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1424336A1

  公开（公告）日：2004-06-02

  This invention provides a compound represented by the formula (I) : wherein R1 is a hydrogen atom, a halogen atom, hydroxy, nitro, optionally halogenated alkyl, alkoxy optionally having substituents, acyl or amino optionally having substituents; R2 is pyridyl, furyl, thienyl, pyrrolyl, quinolyl, pyrazinyl, pyrimidinyl, pyridazinyl, indolyl, tetrahydroquinolyl or thiazolyl, each of which may have substituents; n is 1 or 2; or a salt. And this invention provides a safe pharmaceutical comprising the compound of the formula (I) , which has an excellent apoptosis inhibitory effect and MIF binding effect, for preventing and/or treating heart disease, nervous degenerative disease, cerebrovascular disease, central nervous infectious disease, traumatorathy, demyelinating disease, bone and articular disease, kidney disease, liver disease, osteomyelodysplasia, AIDS, cancer, and the like.

  这项发明提供了一种由以下式（I）表示的化合物： 其中R1是氢原子、卤素原子、羟基、硝基、可选择具有卤素取代基的烷基、可选择具有取代基的烷氧基、酰基或氨基； R2是吡啶基、呋喃基、噻吩基、吡咯基、喹啉基、吡嗪基、嘧啶基、吡啶并嘧啶基、吲哚基、四氢喹啉基或噻唑基，每种基团可能具有取代基； n为1或2；或其盐。该发明提供了一种安全的药物，包括具有优异的凋亡抑制作用和MIF结合作用的式（I）化合物，用于预防和/或治疗心脏病、神经退行性疾病、脑血管疾病、中枢神经感染性疾病、创伤病变、脱髓鞘疾病、骨骼和关节疾病、肾脏疾病、肝脏疾病、骨髓发育不良、艾滋病、癌症等。
• Antihypertensive lactams
  申请人：USV Pharmaceutical Corporation

  公开号：US04347246A1

  公开（公告）日：1982-08-31

  A compound of the formula ##STR1## wherein: R.sub.1 is independently lower alkyl having from 1 to 6 carbon atoms, lower alkenyl having from 2 to 6 carbon atoms, lower alkynyl having from 2 to 6 carbon atoms, hydroxy, hydroxyalkyl, alkoxy, thio, thioalkyl, alkylmercapto, amino, aminoalkyl, alkylamino, nitro, cyano, alkanoyl, carboxy, carboxyalkyl, carbalkoxy, carbalkoxyalkyl, halogen, alkylsulfoxy, alkylsulfonyl, sulfonyl, sulfonamido, trifluoromethyl, or methylenedioxy, wherein the alkyl group in hydroxyalkyl, thioalkyl, aminoalkyl, carboxyalkyl, alkoxy, alkylmercapto, alkylsulfoxy, alkanoyl, carbalkoxy, and carbalkoxyalkyl has from 1 to 6 carbon atoms, n is an integer from 1 to 4 inclusive, R.sub.2 is selected from the group consisting of hydrogen and cycloalkyl, wherein the cycloalkyl group contains from 3 to 16 carbon atoms, R.sub.3 and R.sub.4 are hydrogen, and Y is oxygen, sulphur, .dbd.NR.sub.1, .dbd.NOR.sub.1 or .dbd.N--NH.sub.2, R.sub.1 being the same as defined above. The compounds are useful as antihypertensives, and have angiotensin converting enzyme inhibitory activity.

  一种化合物的公式为##STR1##其中：R.sub.1独立地为低碳链烷基，其碳原子数为1到6，低碳链烯基，其碳原子数为2到6，低碳链炔基，其碳原子数为2到6，羟基，羟基烷基，烷氧基，硫醇基，硫醇基烷基，烷基硫醇基，氨基，氨基烷基，烷基氨基，硝基，氰基，脂肪酰基，羧基，羧基烷基，羧酸酯基，羧酸酯基烷基，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，硫醇基烷基，氨基烷基，羧基烷基，烷氧基，烷基硫醇基，烷基磺酸氧基，脂肪酰基，羧酸酯基和羧酸酯基烷基中的烷基含有1至6个碳原子，n为1至4的整数，R.sub.2选自氢和环烷基，其中环烷基含有3到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剂，并具有抑制血管紧张素转化酶的活性。
• 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。
• 1, 3-benzothiazinone derivatives and use thereof
  申请人：Kajino Masahiro

  公开号：US20050032786A1

  公开（公告）日：2005-02-10

  This invention provides a compound represented by the formula (I): wherein R 1 is a hydrogen atom, a halogen atom, hydroxy, nitro, optionally halogenated alkyl, alkoxy optionally having substituents, acyl or amino optionally having substituents; R 2 is pyridyl, furyl, thienyl, pyrrolyl, quinolyl, pyrazinyl, pyrimidinyl, pyridazinyl, indolyl, tetrahydroquinolyl or thiazolyl, each of which may have substituents; n is 1 or 2; or a salt. And this invention provides a safe pharmaceutical comprising the compound of the formula (I), which has an excellent apoptosis inhibitory effect and MIF binding effect, for preventing and/or treating heart disease, nervous degenerative disease, cerebrovascular disease, central nervous infectious disease, traumatorathy, demyelinating disease, bone and articular disease, kidney disease, liver disease, osteomyelodysplasia, AIDS, cancer, and the like.

  该发明提供了一个由式(I)表示的化合物：其中R1是氢原子、卤素原子、羟基、硝基、可选取代卤代烷基、可选取代基的烷氧基、酰基或氨基；R2是吡啶基、呋喃基、噻吩基、吡咯基、喹啉基、吡嗪基、嘧啶基、吡嗪啉基、吲哚基、四氢喹啉基或噻唑基，每个基团都可以有取代基；n为1或2；或其盐。该发明提供了一种安全的药物，包括式(I)化合物，具有出色的抑制细胞凋亡和结合MIF的效果，用于预防和/或治疗心脏病、神经退行性疾病、脑血管疾病、中枢神经感染性疾病、创伤性疾病、脱髓鞘疾病、骨骼和关节疾病、肾脏疾病、肝脏疾病、骨髓发育不良、艾滋病、癌症等疾病。
• 1,3-benzothiazinone derivatives and use thereof
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US07767665B2

  公开（公告）日：2010-08-03

  This invention provides a compound represented by the formula (I): wherein R1 is a hydrogen atom, a halogen atom, hydroxy, nitro, optionally halogenated alkyl, alkoxy optionally having substituents, acyl or amino optionally having substituents; R2 is pyridyl, furyl, thienyl, pyrrolyl, quinolyl, pyrazinyl, pyrimidinyl, pyridazinyl, indolyl, tetrahydroquinolyl or thiazolyl, each of which may have substituents; n is 1 or 2; or a salt. And this invention provides a safe pharmaceutical comprising the compound of the formula (I), which has an excellent apoptosis inhibitory effect and MIF binding effect, for preventing and/or treating heart disease, nervous degenerative disease, cerebrovascular disease, central nervous infectious disease, traumatorathy, demyelinating disease, bone and articular disease, kidney disease, liver disease, osteomyelodysplasia, AIDS, cancer, and the like.

  本发明提供了一种由式(I)表示的化合物：其中R1是氢原子、卤素原子、羟基、硝基、可选卤代烷基、可选取代基的烷氧基、酰基或氨基；R2是吡啶基、呋喃基、噻吩基、吡咯基、喹啉基、吡嗪基、嘧啶基、吡嗪嗪基、吲哚基、四氢喹啉基或噻唑基，每个基团都可以有取代基；n为1或2；或其盐。本发明提供了一种安全的药物，包括式(I)化合物，该药物具有优异的凋亡抑制作用和MIF结合作用，可用于预防和/或治疗心脏病、神经退行性疾病、脑血管疾病、中枢神经感染病、创伤疗法、脱髓鞘疾病、骨骼和关节疾病、肾脏疾病、肝病、骨髓发育不良、艾滋病、癌症等。