7-[[5-[(4-acetyl-3-hydroxy-2propylbenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]heptanoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7-[[5-[(4-acetyl-3-hydroxy-2propylbenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]heptanoic acid
• 英文别名: 7-[[5-[(4-Acetyl-3-hydroxy-2-propylbenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]heptanoic acid；7-[[5-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]heptanoic acid
• 化学式: C₂₁H₂₈N₂O₄S₃
• 分子量: 468.662
• InChiKey: YZTVKJMHGCXUBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  30
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  179
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-[(4-acetyl-3-hydroxy-2-propylbenzyl)thio]-5-mercapto-1,3,4-thiadiazole 生成 7-[[5-[(4-acetyl-3-hydroxy-2propylbenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]heptanoic acid
  参考文献：
  名称：

  MASE, TOSHIYASU;TSUZUKI, RYUJI;HARA, HIROMU;MURASE, KIYOSHI;TOMIOKA, KENI+

  摘要：

  DOI：

文献信息

• Thiadizazole compounds as antagonists of SRS-A
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04803211A1

  公开（公告）日：1989-02-07

  This invention relates to novel heterocyclic compounds structurally characterized by containing a specific heterocyclic group and by the presence of --CH.sub.2 --S-- directly bound to the specific heterocyclic group. These heterocyclic compounds are useful as medicines, particularly as antagonists of SRS-A (slow reacting substance of anaphylaxis).

  这项发明涉及一类新颖的杂环化合物，其结构特征在于含有特定的杂环基团，并且直接与特定的杂环基团相结合的是--CH.sub.2 --S--。这些杂环化合物可用作药物，特别是作为SRS-A（过敏性反应的缓慢反应物质）的拮抗剂。
• Heterocyclic compounds
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US05180730A1

  公开（公告）日：1993-01-19

  This invention relates to novel heterocyclic compounds structurally characterized by containing a specific heterocyclic group and by the presence of --CH.sub.2 --S--directly bound to the specific heterocyclic group. These heterocyclic compounds are useful as medicines, particularly as antagonists of SRS-A (slow reacting substance of anaphylaxis).

  本发明涉及新型杂环化合物，其结构特征在于含有特定的杂环基团，并且直接与特定的杂环基团相连的是--CH.sub.2--S--。这些杂环化合物可用作药物，特别是作为SRS-A（过敏反应缓慢反应物质）的拮抗剂。
• (Substituted benzyl)-thio heterocyclic compounds having a leukotriene-antagonist activity
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0214732A2

  公开（公告）日：1987-03-18

  Heterocyclic compound of formula (I) and salts thereof are SRS-A antagonists: wherein R' is a C1 to C8 acyl group; R2 is a C1 to Ca alkyl group; Het- is a 5- or 6-membered heterocyclic ring which contains 1 to 3 nitrogen atoms and may additionally contain a sulfur atom or an oxygen atom; R3 is a carboxy group, an amino group, a C1 to C8 alkylamino group which may be carboxy-substituted, a C, to C8 alkanoylamino group which may be carboxy-substituted, a di-(C1-C8 alkyl) amino group, a hydroxy group, a C1 to C8 alkoxy group which may be carboxy-substituted, a mercapto group, a C1-C8 alkylthio group which may be carboxy-substituted, a group of formula: or formula: (wherein p is integer of 1 to 5, q is 0, 1 or 2, r is an integer of 1 to 5; R4 is a carboxy group, a C1-C8 alkoxy group which may be carboxy-substituted or a C1-C8 alkyl group which may be carboxy-substituted and optionally additionally contain a sulfur atom or an oxygen atom in the carbon chain thereof); and n is 0 or an integer of to 3; provided that when the compound is substituted by a carboxy group, said carboxy group may be in the form of an ester, and when n is 2 or 3 different R3's is may be present.

  式 (I) 的杂环化合物及其盐类是 SRS-A 拮抗剂： 其中 R' 是 C1 至 C8酰基；R2 是 C1 至 Ca烷基；Het- 是 5 或 6 元杂环，含有 1 至 3 个氮原子，还可能含有一个硫原子或一个氧原子；R3 是羧基、氨基、可被羧基取代的 C1 至 C8 烷基氨基、可被羧基取代的 C1 至 C8 烷酰氨基、二(C1-C8 烷基)氨基、羟基、可被羧基取代的 C1 至 C8 烷氧基、巯基、可被羧基取代的 C1-C8 烷硫基、式中的基团： 或式 (其中 p 为 1 至 5 的整数，q 为 0、1 或 2，r 为 1 至 5 的整数；R4 为羧基、可被羧基取代的 C1-C8 烷氧基或可被羧基取代的 C1-C8 烷基，并可选择在其碳链中额外含有一个硫原子或一个氧原子）；且 n 为 0 或 3 的整数；但当化合物被羧基取代时，所述羧基可以是酯的形式，且当 n 为 2 或 3 时，可以存在不同的 R3。
• MASE, TOSHIYSU;TSUZUKI, RYUJI;HARA, HIROMU;MURASE, KIYOSHI;TOMIOKA, KENIC+
  作者：MASE, TOSHIYSU、TSUZUKI, RYUJI、HARA, HIROMU、MURASE, KIYOSHI、TOMIOKA, KENIC+

  DOI：——

  日期：——
• MASE, TOSHIYASU;TSUZUKI, RYUJI;HARA, HIROMU;MURASE, KIYOSHI;TOMIOKA, KENI+
  作者：MASE, TOSHIYASU、TSUZUKI, RYUJI、HARA, HIROMU、MURASE, KIYOSHI、TOMIOKA, KENI+

  DOI：——

  日期：——