2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid

• 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: 2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid
• 化学式: C₁₄H₂₃NO₃
• 分子量: 253.34
• InChiKey: WIESNNVNXBYTFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Crystalline N-formimidoyl thienamycin
  申请人：Merck & Co., Inc.

  公开号：EP0006639A1

  公开（公告）日：1980-01-09

  Disclosed is crystalline N-formimidoyl thienamycin and a process for its preparation.

  本发明公开了晶体 N-甲酰亚胺基硫霉素及其制备方法。
• Antibacterial compositions comprising a beta-lactam-type compound and a 3-substituted propenoate
  申请人：Merck & Co., Inc.

  公开号：EP0028778A1

  公开（公告）日：1981-05-20

  An antibacterial composition comprising (a) cephaloridine and a 3-substituted propenoate of either of the formula wherein e.g. R2 and R3 are hydrocarbon radicals; a terminal hydrogen in R3 can be replaced by several groups; R' is hydrogen or C1-C6 alkyl or dialkylaminoalkyl, n is 3 to 5 and Y is heterocyclic or phenyl optionally substituted with hydroxyl, oxo, carboxyl, or methyl or (b) thienamycin, N-guanyl or N-formimidoyl thienamycin and a compound of formula II. The propenoate compounds prevent nephrotoxicity of the antibiotics. The antibiotic to propenoate weight ratio is from about 1 to 0.1-3.

  一种抗菌组合物，包括(a) 头孢里定和式中任一的 3-取代的丙烯酸酯 其中，例如 R2 和 R3 是烃基；R3 中的末端氢可被多个基团取代；R'是氢或 C1-C6 烷基或二烷基氨基烷基，n 是 3 至 5，Y 是杂环或苯基，可任选被羟基、氧代、羧基或甲基取代；或 (b) 噻喃霉素、N-鸟苷酰基或 N-甲酰亚胺酰基噻喃霉素和式 II 的化合物。丙烯酸盐化合物可防止抗生素的肾毒性。抗生素与丙烯酸酯的重量比约为 1 至 0.1-3。
• 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。
• Oral absorption enhancement of carboxylic acid pharmaceuticals using (5-alkyl-2-oxo-1,3-dioxolen-4-yl)methyl ester group
  申请人：Merck & Co., Inc.

  公开号：EP0070013A1

  公开（公告）日：1983-01-19

  The (5-R-2-oxo-1,3-dioxolen-4-yl)methyl moiety: wherein R is loweralkyl of 1-6 carbon atoms, especially methyl or t-butyl; when utilized as an ester on a pharmaceutical having a carboxylic acid functionality, enhances oral absorption of the pharmaceutical. This effect is applicable to a broad range of pharmaceutically active substances, including antibiotics, and antihypertensives as well as other classes of therapeutic agents.

  (5-R-2-氧代-1,3-二氧戊环-4-基)甲基： 其中 R 是 1-6 个碳原子的低级烷基，特别是甲基或叔丁基；当作为酯用于具有羧酸官能团的药物时，可促进药物的口服吸收。这种效果适用于多种药物活性物质，包括抗生素、抗高血压药以及其他类别的治疗剂。
• 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。