3-(benzothiophen-3-ylmercapto)propanoic acid | 22316-07-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 3-(benzothiophen-3-ylmercapto)propanoic acid
• 英文别名: 3-benzo[b]thiophen-3-ylsulfanyl-propionic acid；3-(benzo[b]thiophen-3-ylthio)-propionic acid；3-(2-Carboxy-ethylmercapto)-benzothiophen；S-(3-Thianaphtenyl)-3-mercaptopropionsaeure；3-(1-Benzothiophen-3-ylsulfanyl)propanoic acid
• CAS: 22316-07-0
• 化学式: C₁₁H₁₀O₂S₂
• 分子量: 238.331
• InChiKey: HEVCXANBEHDQBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  90.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(benzothiophen-3-ylmercapto)propanoic acid 在 phosphorus pentoxide 作用下， 以 苯 为溶剂， 反应 2.0h， 以65%的产率得到2,3-Dihydro-4H-<1>benzothieno<3,2-b>thiopyran-4-on
  参考文献：
  名称：

  Reddy, D. Bhaskar; Padmaja, A.; Reddy, M. Muralidhar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1995, vol. 34, # 5, p. 427 - 428

  摘要：

  DOI：
• 作为产物：
  描述：

  苯硫基乙酸 在 PPA 、 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 12.75h， 生成 3-(benzothiophen-3-ylmercapto)propanoic acid
  参考文献：
  名称：

  Reddy, D. Bhaskar; Padmaja, A.; Reddy, M. Muralidhar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1995, vol. 34, # 5, p. 427 - 428

  摘要：

  DOI：

文献信息

• Piperidine derivatives having anxiolytic effect
  申请人：Lundbeck; H.

  公开号：US05665725A1

  公开（公告）日：1997-09-09

  Piperidine compounds having the general formula (I), ##STR1## wherein R.sup.1 is a group having general formula (II), ##STR2## wherein X is CHR.sup.10, O, S, SO, SO.sub.2 or NR.sup.10, Z.sup.1 is CH.sub.2, O, or S; Z.sup.2 and Z.sup.3 are independently (CH.sub.2).sub.n, n being 0 or 1, O or S or Z.sup.1 and Z.sup.2 may together represent a group --CH.dbd.CH--; or when Z.sup.3 is (CH.sub.2).sub.n wherein n is 0, Z.sup.1 and Z.sup.2 may together represent a 3-membered divalent group; show potent sigma receptor activity. Furthermore they show effect in animal models indicative of anxiolytic properties. Accordingly they are useful as medicines for the treatment of anxiety, psychosis, epilepsy, convulsion, movement disorders, motor disturbances, amnesia, cerebrovascular diseases, senile demential of the Alzheimer type or Parkinson's disease.

  哌啶化合物具有通式（I），其中 R.sup.1 是具有通式（II）的基团，其中 X 是CHR.sup.10，O，S，SO，SO.sub.2或NR.sup.10，Z.sup.1是CH.sub.2，O或S；Z.sup.2和Z.sup.3分别为（CH.sub.2）.sub.n，n为0或1，O或S或Z.sup.1和Z.sup.2可以共同表示一个羟基；或者当Z.sup.3是（CH.sub.2）.sub.n时，其中n为0，Z.sup.1和Z.sup.2可以共同表示一个3-成员双价基团；显示出强大的σ受体活性。此外，它们在动物模型中显示出具有抗焦虑特性的效果。因此，它们可用作治疗焦虑症、精神病、癫痫、抽搐、运动障碍、运动紊乱、健忘症、脑血管疾病、老年性阿尔茨海默病或帕金森病的药物。
• Piperidine derivatives
  申请人：H. LUNDBECK A/S

  公开号：EP0518805A1

  公开（公告）日：1992-12-16

  Piperidine compounds having the general general Formula I wherein R¹ is a) a group consisting of alkyl, alkenyl, cycloalkyl, cycloalkenyl, phenyl, cycloalkylalkyl, cycloalkenylalkyl, phenylalkyl or diphenylalkyl linked to the piperidyl N-atom through an at least 2 membered spacer group or; b) a group having the general Formula II : wherein X is CHR¹⁰, O, S, SO, SO₂ or NR¹⁰, R¹⁰ being hydrogen, alkyl or alkenyl, an amino group, sulfonyl, optionally substituted phenyl or a hetero aromatic group; Y is CH, CH₂, NH, C=O or C=S; Ra - Rd are substituents; U is CH₂, O or S; Q¹ is a bond , alkylene or alkenylen and Q² alkylene having at least two C-atoms or alkenylene R² and R³ are hydrogen, or alkyl or they may together form an ethylene or propylene bridge; R⁴ to R⁷ are substituents; and i) Z¹ and Z² are linked together in which case: Z¹ is CH₂, O or S; Z² and Z³ are independently (CH₂)n, n being 0 or 1, O or S or Z¹ and Z² may together represent a group -CH=CH-; or when Z³ is (CH₂)n wherein n is 0, Z¹ and Z² may together represent a 3-membered divalent group; or ii) when R¹ is a group as defined in b) Z¹ and Z² may also be unlinked, in which case: Z¹ is substituent, Z² is hydrogen and Z³ is (CH₂)n wherein n is 0; show potent sigma receptor activity. Furthermore they show effect in animal models indicative of anxiolytic properties. Accordingly they are useful as medicines for the treatment of anxiety, psychosis, epilepsy, convulsion, movement disorders, motor disturbances, amnesia, cerebrovascular diseases, senile dementia of the Alzheimer type or Parkinson's disease.

  具有一般式I的哌啶化合物，其中R¹是a)由至少2个成员的间隔基团连接到哌啶N原子的烷基，烯基，环烷基，环烯基，苯基，环烷基烷基，环烯基烷基，苯基烷基或二苯基烷基的群；或b)具有一般式II的群：其中X是CHR¹⁰，O，S，SO，SO₂或NR¹⁰，R¹⁰为氢，烷基或烯基，氨基，磺酰基，可选取代的苯基或杂环芳基；Y是CH，CH₂，NH，C=O或C=S；Ra至Rd是取代基；U是CH₂，O或S；Q¹是键，烷基或烯基，Q²是至少有两个C原子的烷基或烯基，R²和R³是氢，或烷基，或它们可以一起形成乙烯或丙烯桥；R⁴到R⁷是取代基；i）Z¹和Z²连接在一起的情况下：Z¹是CH₂，O或S；Z²和Z³是独立的（CH₂）n，n为0或1，O或S，或Z¹和Z²可以一起表示一个组-CH=CH-；或者当Z³为（CH₂）n，其中n为0时，Z¹和Z²可以一起表示一个3成员双价基团；或ii）当R¹是b）中定义的群时，Z¹和Z²也可以未连接，在这种情况下：Z¹是取代基，Z²是氢，Z³是（CH₂）n，其中n为0；具有强大的sigma受体活性。此外，它们在动物模型中表现出具有抗焦虑特性的效果。因此，它们可用作治疗焦虑症，精神病，癫痫，惊厥，运动障碍，记忆障碍，脑血管疾病，阿尔茨海默病或帕金森病的药物。
• Padmavathi; Padmaja; Bhaskar Reddy, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1999, vol. 38, # 3, p. 308 - 311
  作者：Padmavathi、Padmaja、Bhaskar Reddy

  DOI：——

  日期：——
• PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT
  申请人：H. LUNDBECK A/S

  公开号：EP0593511A1

  公开（公告）日：1994-04-27
• US5665725A
  申请人：——

  公开号：US5665725A

  公开（公告）日：1997-09-09