(E)-5-Methoxypent-2-enoic acid | 149310-68-9

• 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: (E)-5-Methoxypent-2-enoic acid
• 英文别名: 5-Methoxypent-2-enoic acid
• CAS: 149310-68-9
• 化学式: C₆H₁₀O₃
• 分子量: 130.144
• InChiKey: CBTBJLURHXVTPX-DUXPYHPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-5-Methoxypent-2-enoic acid 在 N,N'-二环己基碳二亚胺 作用下， 反应 24.0h， 生成
  参考文献：
  名称：

  A Diels-Alder approach to Stemona alkaloids: total synthesis of stenine

  摘要：

  A total synthesis of dl-stenine (4) is described. Key features involve (1) use of an intramolecular Diels-Alder cycloaddition-aminimide rearrangement sequence to construct the perhydroindole substructure (29 --> 36 --> 27), (2) application of an Eschenmoser-Claisen rearrangement-iodolactonization sequence to prepare the butenolide substructure (58 --> 59 --> 61), (3) use of a free-radical allylation to introduce the C(9)-ethyl group (61 --> 62), and (4) thermal cyclization of an amino ester to afford azepinone 68. A variety of intermolecular and intramolecular Diels-Alder reactions, including examples in which alpha,beta-unsaturated thioesters play the role of dienophile, are also described.

  DOI：

  10.1021/jo00067a015
• 作为产物：
  描述：

  (E)-5-Methoxy-pent-2-enoic acid tert-butyl ester 在 三氟乙酸 作用下， 以 苯 为溶剂， 以89%的产率得到(E)-5-Methoxypent-2-enoic acid
  参考文献：
  名称：

  A Diels-Alder approach to Stemona alkaloids: total synthesis of stenine

  摘要：

  A total synthesis of dl-stenine (4) is described. Key features involve (1) use of an intramolecular Diels-Alder cycloaddition-aminimide rearrangement sequence to construct the perhydroindole substructure (29 --> 36 --> 27), (2) application of an Eschenmoser-Claisen rearrangement-iodolactonization sequence to prepare the butenolide substructure (58 --> 59 --> 61), (3) use of a free-radical allylation to introduce the C(9)-ethyl group (61 --> 62), and (4) thermal cyclization of an amino ester to afford azepinone 68. A variety of intermolecular and intramolecular Diels-Alder reactions, including examples in which alpha,beta-unsaturated thioesters play the role of dienophile, are also described.

  DOI：

  10.1021/jo00067a015

文献信息

• IDO INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160289171A1

  公开（公告）日：2016-10-06

  There are disclosed compounds that modulate or inhibit the enzymatic activity of indoleamine 2,3-dioxygenase (IDO), pharmaceutical compositions containing said compounds and methods of treating proliferative disorders, such as cancer, viral infections and/or inflammatory disorders utilizing the compounds of the invention.

  已披露的化合物可调节或抑制吲哌酮胺2,3-二氧化酶（IDO）的酶活性，含有该化合物的药物组合物以及利用本发明的化合物治疗增殖性疾病，如癌症、病毒感染和/或炎症性疾病的方法。
• [EN] NRF2 REGULATORS<br/>[FR] RÉGULATEURS DE NRF2
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2015092713A1

  公开（公告）日：2015-06-25

  The present invention relates to bis aryl analogs, pharmaceutical compositions containing them and their use as Nrf2 regulators.

  这项发明涉及双芳基类似物，含有它们的药物组合物以及它们作为Nrf2调节剂的用途。
• An antibacterial composition of thienamycin-type compound and a dipeptidase inhibitor
  申请人：Merck & Co., Inc.

  公开号：EP0007614A1

  公开（公告）日：1980-02-06

  A novel antibacterial drug combination is provided, one component being a fused ring β-lectam, such as thienamycin and its semi-synthetic derivatives, 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 β-lactam compound are employed for 30 to 1 parts by weight of the inhibitor compound.

  提供了一种新型抗菌药物组合，其中一种成分是融合环β-内酰胺，如硫霉素及其半合成衍生物，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（按重量计）β-内酰胺化合物对 30 至 1 份（按重量计）抑制剂化合物。
• 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。
• 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。