Z-2-(2,2-dimethylcyclopropanecarboxamido)-8-(1-methyl-5-tetrazolylthio)-2-octenoic acid | 82564-49-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Z-2-(2,2-dimethylcyclopropanecarboxamido)-8-(1-methyl-5-tetrazolylthio)-2-octenoic acid
• 英文别名: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-8-(1-methyltetrazol-5-yl)sulfanyloct-2-enoic acid
• CAS: 82564-49-6
• 化学式: C₁₆H₂₅N₅O₃S
• 分子量: 367.472
• InChiKey: HGWAZBAHPRPFDD-WQLSENKSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  135
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Z-omega-substituted thio-2-(2,2-dimethylcyclopropanecarboxamido)-2-alkenoic acids, a process for preparing and an antibacterial composition containing the same
  申请人：Merck & Co., Inc.

  公开号：EP0049389A1

  公开（公告）日：1982-04-14

  Novel chemical compounds and a process for preparing them are provided. These compounds selectively inhibit the metabolism of dipeptidase (E.C.3.4.13.11) and therefore are useful in combination with antibacterial products. These chemical compounds are Z-2-(2,2-dimethylcyclopropane- carboxamidol-ω-pyridylthio-2-alkenoic acids (and related arylthio and heterocyclylthio analogs) of the general formula: wherein n is an integer from 3-5, Y is pyridyl, pyrimidinyl, tetrazolyl, imidazolyl, thiadiazolyl, thiazolinyl, or phenyl, optionally having 1 or 2 substituents which are hydroxyl, oxo, carboxyl, or methyl; and the loweralkyl (C1-6) esters and pharmaceutically acceptable salts thereof.

  本研究提供了新型化合物及其制备方法。这些化合物选择性地抑制二肽酶（E.C.3.4.13.11）的代谢，因此可与抗菌产品结合使用。这些化合物是通式为 Z-2-(2,2-二甲基环丙烷-羧酰胺醇-ω-吡啶巯基-2-烯酸（以及相关的芳基巯基和杂环巯基类似物）： 其中 n 为 3-5 的整数，Y 为吡啶基、嘧啶基、四唑基、咪唑基、噻二唑基、噻唑啉基或苯基，可选具有 1 或 2 个羟基、氧代、羧基或甲基的取代基；及其低级烷基 (C1-6) 酯和药学上可接受的盐。
• Antibacterial composition of thienamycin type compound and a dipeptidase inhibitor
  申请人：Merck & Co., Inc.

  公开号：EP0048025A1

  公开（公告）日：1982-03-24

  Novel compounds of the general formula wherein R2 is 2,2-dimethylcyclopropyl or 2,2-dichlorocyclopropyl; R1 is hydrogen, loweralkyl of 1-6 carbon atoms, dialkylaminoalkyl, or a pharmaceutically acceptable cation; R3 is a hydrocarbon chain of 3-7 carbon atoms, optionally having a terminal substituent which is trimethylammonium, amidino, guanidino, 2-amino-2-carboxyethyl- thio, or ureido, which selectively inhibit the metabolism of dipeptidase (E.C.3.4.13.11) and therefore are useful in combination with antibacterial products by preference with the thienamycin class of compounds.

  通式中 R2 为 2,2-二甲基环丙基或 2,2-二氯环丙基；R1 为氢、1-6 个碳原子的低级烷基、二烷基氨基烷基或药学上可接受的阳离子；R3 为 3-7 个碳原子的烃链，任选具有一个末端取代基，该取代基为三甲基铵、脒基、胍基、2-氨基-2-羧乙基硫代或脲基，可选择性地抑制二肽酶（E.C.3.4.13.11）的代谢，因此可优先与噻吩霉素类化合物结合使用。
• Combination of 2-substituted penems with dipeptidase inhibitors
  申请人：Merck & Co., Inc.

  公开号：EP0072014A1

  公开（公告）日：1983-02-16

  A novel antibacterial drup combination is provided, one component being a 2-substituted penem having the structure wherein R is -R' or -SR' wherein R' is substituted or unsubstituted: alkyl having 1-6 carbon atoms, aryl such as phenyl or phenyl alkyl having 7-12 carbon atoms, heterocyclyl or heterocyclylalkyl wherein alkyl has 1-3 carbon atoms and the heterocyclic moiety has 1-4 hetero atoms selected from 0, N, or S: and the easily removable or pharmaceutically acceptable salt or ester derivatives thereof; and the other component is a dipeptidase (E.C.3.4.13.11) inhibitor. The dual-component combination is formulated so that 1 to 3 parts by weight of the penem are employed for 30 to 1 parts by weight of the inhibitor compound.

  本发明提供了一种新型抗菌药组合，其中一种成分是具有以下结构的 2-取代戊烯 其中 R 是-R'或-SR'，其中 R' 是取代或未取代的：具有 1-6 个碳原子的烷基、芳基如苯基或具有 7-12 个碳原子的苯基烷基、杂环或杂环烷基，其中烷基具有 1-3 个碳原子，杂环分子具有 1-4 个选自 0、N 或 S 的杂原子：及其易去除的或药学上可接受的盐或酯衍生物；另一种成分是二肽酶（E.C.3.4.13.11）抑制剂。双组分组合配制成 1 至 3 份重量的青霉烯对 30 至 1 份重量的抑制剂化合物。
• Combination of 2-substituted carbapenems with dipeptidase inhibitors
  申请人：Merck & Co., Inc.

  公开号：EP0161546B1

  公开（公告）日：1989-12-13
• US4406902A
  申请人：——

  公开号：US4406902A

  公开（公告）日：1983-09-27