2-Acetylsulfanyl-3-methyl-butyric acid | 169812-47-9

• 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: 2-Acetylsulfanyl-3-methyl-butyric acid
• 英文别名: 2-(Acetylthio)-3-methylbutanoic acid；2-acetylsulfanyl-3-methylbutanoic acid
• CAS: 169812-47-9
• 化学式: C₇H₁₂O₃S
• 分子量: 176.236
• InChiKey: XYMGIUGZGBRXOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Acetylsulfanyl-3-methyl-butyric acid 在 ammonium hydroxide 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 (RS)-2-mercapto-3-methylbutanoyl-L-leucyl-L-phenylalanine N-methylamide
  参考文献：
  名称：

  Mercaptoacyl matrix metalloproteinase inhibitors: The effect of substitution at the mercaptoacyl moiety

  摘要：

  The in vitro potency of orally-active mercaptoacyl matrix metalloproteinase inhibitors is increased by the introduction of appropriate substituents on the mercaptoacyl moiety. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10069-5
• 作为产物：
  描述：

  异戊酸 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-Acetylsulfanyl-3-methyl-butyric acid
  参考文献：
  名称：

  Mercaptoacyl matrix metalloproteinase inhibitors: The effect of substitution at the mercaptoacyl moiety

  摘要：

  The in vitro potency of orally-active mercaptoacyl matrix metalloproteinase inhibitors is increased by the introduction of appropriate substituents on the mercaptoacyl moiety. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10069-5

文献信息

• Acylmercaptoalkanoyldipeptides, methods of preparation and their therapeutic use
  申请人：INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM)

  公开号：EP0524553A1

  公开（公告）日：1993-01-27

  This invention is directed to a compound of the formula that inhibits simultaneously neutral endopeptidase and peptidyldipeptidase A and is useful in treating hypertension. The invention is also directed to the preparation of the compound, pharmaceutical compositions containing it, and methods for its pharmaceutical use.

  这项发明涉及一种化合物，该化合物能同时抑制中性内肽酶和肽二肽酶A，并可用于治疗高血压。该发明还涉及该化合物的制备，含有该化合物的药物组合物，以及该药物的使用方法。
• Cyclic amino acid derivatives having ACE and NEP inhibiting activity
  申请人：CIBA-GEIGY AG

  公开号：EP0655461A1

  公开（公告）日：1995-05-31

  Disclosed are the compounds of formula I wherein    R represents hydrogen, lower alkyl, carbocyclic or heterocyclic aryl-lower alkyl or cycloalkyl-lower alkyl;    R₁ represents hydrogen, lower alkyl, cycloalkyl, carbocyclic aryl or heterocyclic aryl, or biaryl;    R₃ represents hydrogen or acyl;    R₄ represents hydrogen, lower alkyl, carbocyclic or heterocyclic aryl, carbocyclic or heterocyclic aryl-lower alkyl, cycloalkyl, cycloalkyl-lower alkyl, biaryl or biaryl-lower alkyl;    R₅ represents hydrogen or lower alkyl; or R₄ and R₅ together with the carbon atom to which they are attached represent cycloalkylidene or benzo-fused cycloalkylidene;    A together with the carbon atom to which it is attached represents 3 to 10 membered cycloalkylidene or 5 to 10 membered cycloalkenylidene radical which may be substituted by lower alkyl or aryl-lower alkyl or may be fused to a saturated or unsaturated carbocyclic 5-7-membered ring; or A together with the carbon to which it is attached represents 5 or 6 membered oxacycloalkylidene, thiacycloalkylidene or azacycloalkylidene optionally substituted by lower alkyl or aryl-lower alkyl; or A together with the carbon atom to which it is attached represents 2,2-norbornylidene;    m is 0, 1, 2 or 3; and    COOR₂ represents carboxyl or carboxyl derivatized in form of a pharmaceutically acceptable ester; disulfide derivatives derived from said compounds wherein R₃ is hydrogen; and pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising said compounds; methods for preparation of said compounds; intermediates; and methods of treating disorders in mammals which are responsive to ACE and NEP inhibition by administration of said compounds to mammals in need of such treatment.

  公开了式 I 的化合物 其中 R 代表氢、低级烷基、碳环芳基或杂环芳基-低级烷基或环烷基-低级烷基； R₁ 代表氢、低级烷基、环烷基、碳环芳基或杂环芳基或双芳基； R₃ 代表氢或酰基； R₄ 代表氢、低级烷基、碳环芳基或杂环芳基、碳环芳基或杂环芳基-低级 烷基、环烷基、环烷基-低级烷基、双芳基或双芳基-低级烷基； R₅ 代表氢或低级烷基；或 R₄ 和 R₅ 与它们所连接的碳原子一起代表亚环烷基或苯并熔亚环烷基； A 与所连接的碳原子一起代表 3 至 10 个成员的亚环烷基或 5 至 10 个成员的 亚环烯基，它们可被低级烷基或芳基-低级烷基取代，或可与饱和或不饱和碳环 5-7 元环融合；或 A 与所连接的碳原子一起代表可被低级烷基或芳基-低级烷基任选取代的 5 或 6 位元氧杂环亚烷基、硫杂环亚烷基或氮杂环亚烷基；或 A 与所连接的碳原子一起代表 2,2-降冰片烷基； m 是 0、1、2 或 3；以及 COOR₂ 代表羧基或以药学上可接受的酯形式衍生的羧基； 由所述化合物衍生的二硫化物衍生物，其中 R₃ 为氢；及其药学上可接受的盐；包含所述化合物的药物组合物；制备所述化合物的方法；中间体；以及通过向需要治疗的哺乳动物施用所述化合物来治疗对 ACE 和 NEP 抑制有反应的哺乳动物疾病的方法。
• AMINO ACID DERIVATIVE
  申请人：Eisai Co., Ltd.

  公开号：EP0671172A1

  公开（公告）日：1995-09-13

  An amino acid derivative having an angiotensin I-converting enzyme inhibitor activity, a vasopressin antagonism and an atrial natriuretic peptide hydrolase inhibitor activity, and represented by general formula (I) wherein R¹ represents hydrogen or acyl; R² represents hydrogen, lower alkyl, cycloalkyl, optionally substituted aryl, optionally substituted heteroaryl, optionally substituted arylalkyl or optionally substituted heteroarylalkyl; m and n represent each independently an integer of 0.1 or 2; and J represents a cyclic group having an angiotensin I-converting enzyme inhibitor activity.

  一种具有血管紧张素Ⅰ转换酶抑制剂活性、血管加压素拮抗剂活性和心房钠尿肽水解酶抑制剂活性的氨基酸衍生物，由通式(I)表示 其中R¹代表氢或酰基；R²代表氢、低级烷基、环烷基、任选取代的芳基、任选取代的杂芳基、任选取代的芳烷基或任选取代的杂芳基烷基；m和n各自独立地代表0.1或2的整数；J代表具有血管紧张素I-转化酶抑制剂活性的环状基团。
• ACYLMERCAPTOALKANOYLDIPEPTIDES, METHODS OF PREPARATION AND THEIR THERAPEUTIC USE
  申请人：INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM)

  公开号：EP0595878A1

  公开（公告）日：1994-05-11
• PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEINASES
  申请人：Chiroscience Limited

  公开号：EP0728144A1

  公开（公告）日：1996-08-28