ethyl 3-(4-thianyl)propionate | 99197-85-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 3-(4-thianyl)propionate
• 英文别名: ethyl 3-(thian-4-yl)propanoate
• CAS: 99197-85-0
• 化学式: C₁₀H₁₈O₂S
• 分子量: 202.318
• InChiKey: YNDVVCULFWJREU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 3-(4-thianyl)propionate 在 4 A molecular sieve 、 硫酸 、 sodium ethanolate 、 sodium cyanoborohydride 、 lithium chloride 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 反应 3.5h， 生成 ethyl (2R)-2-[[(3R)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-(thian-4-yl)butanoate
  参考文献：
  名称：

  Synthesis and angiotensin converting enzyme inhibitory activity of 1,5-benzothiazepine and 1,5-benzoxazepine derivatives. I.

  摘要：

  新型血管紧张素转化酶（ACE）抑制剂的设计与合成，包括(R)-3-氨基-4-氧代-2, 3, 4, 5-四氢-1, 5-苯硫氮杂环-5-乙酸（7, 26, 33 和 37）以及(S)-3-氨基-4-氧代-2, 3, 4, 5-四氢-1, 5-苯氧氮杂环-5-乙酸（8 和 27），本文进行了描述。这些系列中的一些化合物在体外和体内显示出强烈的ACE抑制活性。同时讨论了结构-活性关系。

  DOI：

  10.1248/cpb.34.1128
• 作为产物：
  描述：

  四氢噻喃-4-甲醛 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 、 苯 为溶剂， 反应 1.0h， 生成 ethyl 3-(4-thianyl)propionate
  参考文献：
  名称：

  Synthesis and angiotensin converting enzyme inhibitory activity of 1,5-benzothiazepine and 1,5-benzoxazepine derivatives. I.

  摘要：

  新型血管紧张素转化酶（ACE）抑制剂的设计与合成，包括(R)-3-氨基-4-氧代-2, 3, 4, 5-四氢-1, 5-苯硫氮杂环-5-乙酸（7, 26, 33 和 37）以及(S)-3-氨基-4-氧代-2, 3, 4, 5-四氢-1, 5-苯氧氮杂环-5-乙酸（8 和 27），本文进行了描述。这些系列中的一些化合物在体外和体内显示出强烈的ACE抑制活性。同时讨论了结构-活性关系。

  DOI：

  10.1248/cpb.34.1128

文献信息

• 3-Amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine derivatives
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04548932A1

  公开（公告）日：1985-10-22

  Novel 3-amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine derivatives of the formula ##STR1## [wherein R.sup.1 and R.sup.2 are independently hydrogen, halogen, trifluoromethyl, lower alkyl or lower alkoxy, or both jointly form tri- or tetramethylene; R.sup.3 is hydrogen, optionally substituted lower alkyl or optionally substituted aralkyl; R.sup.4 is hydrogen, optionally substituted alkyl, optionally substituted aralkyl or optionally substituted cycloalkylalkyl; Y is a carboxyl group which may be esterified or amidated; m is 1 or 2] and salts thereof. These compounds and salts thereof exhibits inhibitory activity on angiotensin converting enzyme and so forth, and are of value as an agent for diagnosis, prevention and treatment of circulatory diseases (e.g. hypertension, cardiopathy, cerebral apoploxy).

  新颖的3-氨基-4-酮基-2,3,4,5-四氢-1,5-苯并噁唑啉衍生物的化学式为##STR1##[其中R.sup.1和R.sup.2独立地为氢、卤素、三氟甲基、低碳烷基或低碳氧基，或者共同形成三元或四元亚甲基；R.sup.3为氢、可选择取代的低碳烷基或可选择取代的芳基烷基；R.sup.4为氢、可选择取代的烷基、可选择取代的芳基烷基或可选择取代的环烷基烷基；Y为可酯化或酰胺化的羧基；m为1或2]及其盐。这些化合物及其盐对肾素转换酶等具有抑制活性，可作为循环系统疾病（如高血压、心脏病、脑卒中）的诊断、预防和治疗药物。
• Condensed seven-membered ring compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04638000A1

  公开（公告）日：1987-01-20

  Novel condensed seven-membered ring compounds of the formula: ##STR1## [wherein R.sup.1 and R.sup.2 are independently hydrogen, halogen, trifluoromethyl, lower alkyl or lower alkoxy, or both jointly form tri- or tetramethylene; R.sup.3 and R.sup.5 are independently hydrogen, lower alkyl or aralkyl; R.sup.4 is hydrogen or lower alkyl; R.sup.6 is a condensed or non-condensed hetero-alicyclic containing at least one atom of N, O and S as a ring-forming atom which may be substituted; A is an alkylene chain; n is 1 or 2] and salts thereof. These compounds exhibit inhibitory activity on angiotensin converting enzyme and so forth, and are of value as an agent for diagnosis, prevention and treatment of circulatory diseases, such as hypertension, cardiopathy and cerebral apoploxy.

  该文献介绍了一类新型的七元环化合物，化学式为：##STR1## [其中R.sup.1和R.sup.2独立地是氢、卤素、三氟甲基、低碳基或低氧基，或共同形成三或四亚甲基；R.sup.3和R.sup.5独立地是氢、低碳基或芳基碳基；R.sup.4是氢或低碳基；R.sup.6是含有至少一个N、O和S原子作为环形成原子的紧缩或非紧缩杂环，该杂环可能被取代；A是一种烷基链；n为1或2]及其盐。这些化合物表现出抑制肾素-血管紧张素转化酶等活性，并且在循环疾病的诊断、预防和治疗中具有价值，如高血压、心脏病和脑中风。
• Intermediates for the preparation of condensed seven-membered ring
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04739066A1

  公开（公告）日：1988-04-19

  Novel condensed seven-membered ring compounds of the formula: ##STR1## [wherein R.sup.1 and R.sup.2 are independently hydrogen, halogen, trifluoromethyl, lower alkyl or lower alkoxy, or both jointly form tri- or tetramethylene; R.sup.3 and R.sup.5 are independently hydrogen, lower alkyl or aralkyl; R.sup.4 is hydrogen or lower alkyl; R.sup.6 is a condensed or non-condensed hetero-alicyclic containing at least one atom of N, O and S as a ring-forming atom which may be substituted; A is an alkylene chain; n is 1 or 2] and salts thereof. These compounds exhibit inhibitory activity on angiotensin converting enzyme and so forth, and are of value as an agent for diagnosis, prevention and treatment of circulatory diseases, such as hypertension, cardiopathy and cerebral apoploxy.

  这是一种化合物的化学式：##STR1## [其中R.sup.1和R.sup.2分别为氢、卤素、三氟甲基、低碳基或低碳氧基，或共同形成三亚甲基或四亚甲基；R.sup.3和R.sup.5分别为氢、低碳基或芳基低碳基；R.sup.4为氢或低碳基；R.sup.6为含有至少一个N、O和S原子作为环形成原子的紧缩或非紧缩杂环，可以被取代；A是一个烷基链；n为1或2]和它们的盐。这些化合物表现出对血管紧张素转换酶等的抑制活性，并且作为诊断、预防和治疗循环系统疾病（如高血压、心脏病和脑中风）的药物具有价值。
• 3-amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine derivatives
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04591458A1

  公开（公告）日：1986-05-27

  Novel 3-amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine derivatives of the formula ##STR1## [wherein R.sup.1 and R.sup.2 are independently hydrogen, halogen trifluoromethyl, lower alkyl or lower alkoxy, or both jointly form tri- or tetramethylene; R.sup.3 is hydrogen, optionally substituted lower alkyl or optionally substituted aralkyl; R.sup.4 is hydrogen, optionally substituted alkyl, optionally substituted aralkyl or optionally substituted cycloalkylalkyl; Y is a carboxyl group which may be esterified or amidated; m is 1 or 2] and salts thereof. These compounds and salts thereof exhibits inhibitory activity on angiotensin converting enzyme and so forth, and are of value as an agent for diagnosis, prevention and treatment of circulatory diseases (e.g. hypertension, cardiopathy, cerebral apoploxy).

  化合物和盐的新颖3-氨基-4-氧代-2,3,4,5-四氢-1,5-苯并噁唑衍生物的公式为##STR1##[其中R.sup.1和R.sup.2独立地为氢，卤素三氟甲基，低级烷基或低级烷氧基，或共同形成三亚甲基或四亚甲基; R.sup.3为氢，可选择取代的低级烷基或可选择取代的芳基烷基; R.sup.4为氢，可选择取代的烷基，可选择取代的芳基烷基或可选择取代的环烷基烷基; Y为可酯化或酰胺化的羧基; m为1或2]。这些化合物及其盐表现出对血管紧张素转换酶等的抑制活性，并具有作为循环疾病（如高血压，心脏病，脑卒中）的诊断，预防和治疗剂的价值。
• Condensed seven-membered ring compounds and their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0135349A1

  公开（公告）日：1985-03-27

  Novel condensed, seven-membered ring compounds of the formula [wherein R' and R2 are independently hydrogen, halogen, trifluoromethyl, lower alkyl or lower alkoxy, or both jointly form tri- or tetramethylene; R3 is hydrogen, optionally substituted lower alkyl or optionally substituted aralkyl; R4 is hydrogen, optionally substituted alkyl, optionally substituted aralkyl or optionally substituted cycloalkylalkyl; Y is a carboxyl group which may be esterified or amidated; m is 1 or 21 and salts thereof. These compounds and salts thereof exhibit inhibitory activity on angiotensin converting enzyme and so forth, and are of value as an agent for diagnosis, prevention and treatment of circulatory diseases (e.g. hypertension, cardiopathy, cerebral apoplexy).

  式中的新型缩合七元环化合物 [其中 R' 和 R2 独立地为氢、卤素、三氟甲基、低级烷基或低级烷氧基，或二者共同形成三亚甲基或四亚甲基；R3 为氢、任选取代的低级烷基或任选取代的芳烷基；R4 为氢、任选取代的烷基、任选取代的芳烷基或任选取代的环烷基；Y 为可酯化或酰胺化的羧基；m 为 1 或 21 及其盐。 这些化合物及其盐类对血管紧张素转换酶等具有抑制活性，具有诊断、预防和治疗循环系统疾病（如高血压、心脏病、脑中风）的价值。