β-Formylaminopropionsaeure-n-hexylester | 34433-93-7

• 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: β-Formylaminopropionsaeure-n-hexylester
• 英文别名: Hexyl 3-formamidopropanoate
• CAS: 34433-93-7
• 化学式: C₁₀H₁₉NO₃
• 分子量: 201.266
• InChiKey: FJCWCSBZNABGSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• A composition for increasing the anti-cancer activity of an anti-cancer compound
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0180188A2

  公开（公告）日：1986-05-07

  A composition for increasing the anti-cancer activity of an anti-cancer compound selected from among 5-fluorouracil and a compound capable of producing 5-fluorouracil in vivo, the composition comprising an effective amount of a pyridine derivative represented by the formula wherein R1 is hydroxy or acyloxy, R2 and R4 are each hydrogen, halogen, amino, carboxyl, carbamoyl, cyano, nitro, lower alkyl, lower alkenyl or lower alkoxycarbonyl, R3 and R are each hydrogen, hydroxy or acyloxy; when at least one of R1, R3 and R5 is hydroxy, the structure of 1-position on the pyridine rina can be duetothe due to the keto-enol tautomerism, said hydrogen attached to nitrogen being optionally substituted with a substituent selected from the group consisting of lower alkyl, tetrahydrofuranyl, tetrahydropyranyl, lower alkoxy-lower alkyl, phthalidyl, carbamoyl, lower alkoxycarbonyl-lower alkylcarbamoyl, phenyl-lower alkoxy-lower alkyl, phenylcarbamoyl which may have a substituent on the phenyl ring, lower alkylcarbamoyl, carboxy-lower alkylcarbamoyl, lower alkylthio-lower alkyl and lower alkenyl, provided that the compound having the following formula is excluded, wherein a is hydrogen, lower alkyl, tetrahydrofuranyl, tetrahydropyranyl, lower alkoxy-lower alkyl, lower alkylcarbamoyl, lower alkylthio-lower alkyl or lower alkenyl.

  一种提高选自5-氟尿嘧啶和一种能在体内产生5-氟尿嘧啶的化合物的抗癌活性的组合物，该组合物包括有效量的由式表示的吡啶衍生物 其中 R1 是羟基或酰氧基，R2 和 R4 分别是氢、卤素、氨基、羧基、氨基甲酰基、氰基、硝基、低级烷基、低级烯基或低级烷氧基羰基，R3 和 R 分别是氢、羟基或酰氧基；当 R1、R3 和 R5 中至少有一个是羟基时，吡啶里纳上 1 位的结构可以是 当 R1、R3 和 R5 中至少有一个是羟基时，吡啶里纳上 1 位的结构可以是酮烯醇同分异构，所述连接到氮上的氢可选择被选自低烷基、四氢呋喃基、四氢吡喃基、低烷氧基低烷基、邻苯二甲酰基、氨基甲酰基、低烷氧基羰基低烷基氨基甲酰基组成的取代基取代、苯基-低级烷氧基-低级烷基、苯基氨基甲酰基（苯基环上可能有取代基）、低级烷基氨基甲酰基、羧基-低级烷基氨基甲酰基、低级烷硫基-低级烷基和低级烯基，但具有下式的化合物除外、 其中 a 为氢、低级烷基、四氢呋喃基、四氢呋喃基、低级烷氧基低级烷基、低级烷基氨基甲酰基、低级烷硫基低级烷基或低级烯基。
• 5-Fluorouracil derivatives
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0180897A2

  公开（公告）日：1986-05-14

  An anticancer compound is disclosed which is represented by the formula wherein one of R1 and R2 is a phenyl-lower alkyl optionally having a substituent, phenyl-lower alkenyl or naphthyl-lower alkyl, the other of R1 and R2 is hydrogen or acyl, and R3 is hydrogen, acyl or tetrahydrofuranyl, or represented by the formula wherein Rx is an optionally substituted pyridyl, Y is arylene and a is a known 5-fluorouracil derivative residue which can be converted to 5-fluorouracil in vivo and which is linked to the carbonyl by an ester or amide linkage.

  公开了一种抗癌化合物，该化合物由式表示，其中 R1 和 R2 中的一个是可选具有取代基的苯基-低级烷基、苯基-低级烯基或萘基-低级烷基，R1 和 R2 中的另一个是氢或酰基，R3 是氢、酰基或四氢呋喃基，或由式表示，其中 Rx 是可选取代的吡啶基，Y 是芳基，a 是已知的 5-氟尿嘧啶衍生物残基，该残基可在体内转化为 5-氟尿嘧啶，并通过酯或酰胺连接与羰基相连。
• 5-flurorouracil derivatives
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0247381A2

  公开（公告）日：1987-12-02

  This invention relates to a 5-fluorouracil derivative represented by the formula wherein RY is a hydrogen atom or a specific acyl group, Z is a phenyl-lower alkoxy-lower alkyl group, thienyl-lower alkyl group optionally substituted with halogen atom on the thienyl ring, or a group wherein R1 and R2 are each a hydrogen atom, a specific acyl group, phenyl-lower alkyl group having a group RxOCO- on the phenyl ring, or a group -(A)nB, R" being a specific organic group, A being a lower alkylene group, n being 0 or 1, and B being a 5- or 6-membered unsaturated heterocyclic group having 1 to 4 hetero-atoms selected from nitrogen, oxygen and sulfur and optionally having a benzene ring, naphthalene ring or pyridine ring condensed therewith, with the proviso that when R is a hydrogen atom or acyl group, R2 is not a hydrogen atom or acyl group; to a process for preparing the same; to an anticancer composition comprising an effective amounts of the same; and to use of the same for preparation of an anticancer composition.

  本发明涉及一种 5-氟尿嘧啶衍生物，其式如下 其中 RY 是氢原子或特定酰基，Z 是苯基-低级烷氧基-低级烷基，噻吩基-低级烷基，可选择在噻吩基环上被卤素原子取代，或一个基团 其中 R1 和 R2 分别是氢原子、特定的酰基、苯基环上带有基团 RxOCO- 的苯基-低级烷基或基团-(A)nB，R "是特定的有机基团，A 是低级亚烷基，n 是 0 或 1、和 B 是 5 或 6 元不饱和杂环基团，具有 1 至 4 个选自氮、氧和硫的杂原子，并可选具有苯环、萘环或吡啶环，但当 R 是氢原子或酰基时，R2 不是氢原子或酰基；制备上述物质的工艺；包含有效量上述物质的抗癌组合物；以及使用上述物质制备抗癌组合物。
• US4864021A
  申请人：——

  公开号：US4864021A

  公开（公告）日：1989-09-05
• US4983609A
  申请人：——

  公开号：US4983609A

  公开（公告）日：1991-01-08