N-(2-cyanoethyl)-N-[(1S)-phenylethyl]-3-amino-1,2-propanediol | 204991-07-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(2-cyanoethyl)-N-[(1S)-phenylethyl]-3-amino-1,2-propanediol
• 英文别名: 3-[2,3-dihydroxypropyl-[(1S)-1-phenylethyl]amino]propanenitrile
• CAS: 204991-07-1
• 化学式: C₁₄H₂₀N₂O₂
• 分子量: 248.325
• InChiKey: ZMOANHAXALFZPQ-NBFOIZRFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  67.5
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• PYRIDOBENZOXAZINE DERIVATIVES
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP0924213A1

  公开（公告）日：1999-06-23

  This invention provides a derivative, and an excellent pharmaceutical preparation, which has strong antibacterial activity against Gram-negative and Gram-positive bacteria and shows both excellent pharmacokinetics and high safety. Particularly, it provides a pyridobenzoxazine derivative represented by formula (I): wherein R1: a hydrogen atom or an alkyl group having 1 to 6 carbon atoms, in which said alkyl group may have a substituent selected from the group consisting of a hydroxyl group, a halogen atom, an alkylthio group having 1 to 6 carbon atoms and an alkoxyl group having 1 to 6 carbon atoms; R2: a hydrogen atom or an amino group, in which said amino group may have one or two substituents selected from the group consisting of a formyl group, an alkyl group having 1 to 6 carbon atoms and an acyl group having 2 to 6 carbon atoms; R3: a hydrogen atom, a phenyl group, an acetoxymethyl group, a pivaloyloxymethyl group, an ethoxycarbonyl group, a choline group, a dimethylaminoethyl group, a 5-indanyl group, a phthalidinyl group, a 5-alkyl-2-oxo-1,3-dioxol-4-ylmethyl, a 3-acetoxy-2-oxobutyl group, an alkyl group having 1 to 6 carbon atoms, an alkoxymethyl group having 2 to 7 carbon atoms, a phenylalkyl group composed of an alkylene group having 1 to 6 carbon atoms and a phenyl group; and a salt thereof or a hydrate thereof, or an antibacterial agent containing the same as its active ingredient.

  本发明提供了一种对革兰氏阴性菌和革兰氏阳性菌具有较强抗菌活性，且药代动力学优良、安全性高的衍生物和优良药物制剂。 特别是提供了一种由式（I）表示的吡啶并噁嗪衍生物： 其中 R1：氢原子或具有 1 至 6 个碳原子的烷基，其中所述烷基可具有选自羟基、卤素原子、具有 1 至 6 个碳原子的烷硫基和具有 1 至 6 个碳原子的烷氧基的取代基； R2：氢原子或氨基，其中所述氨基可具有一个或两个取代基，这些取代基可从甲酰基、具有 1-6 个碳原子的烷基和具有 2-6 个碳原子的酰基组成的组中选出； R3:氢原子、苯基、乙酰氧甲基、新戊酰氧甲基、乙氧基羰基、胆碱基、二甲基氨基乙基、5-茚满基、酞丁基、5-烷基-2-氧代-1,3-二氧戊环-4-基甲基3-乙酰氧基-2-氧代丁基、具有 1 至 6 个碳原子的烷基、具有 2 至 7 个碳原子的烷氧基甲基、由具有 1 至 6 个碳原子的亚烷基和苯基组成的苯基烷基；及其盐或水合物，或含有相同活性成分的抗菌剂。
• Pyridonecarboxylic acid derivatives and their use as antibacterial agents
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1304329A2

  公开（公告）日：2003-04-23

  This invention relates to a N1-(halogenocyclopropyl)-substituted pyridonecarboxylic acid derivative represented by the following formula (I): wherein X1 is a halogen atom or a hydrogen atom; X2 is a halogen atom; R1 is a hydrogen atom, a hydroxyl group, a thiol group, a halogenomethyl group, an amino group, an alkyl group or an alkoxy group which may have a substituent group; R2 is a group represented by the following formula (II): wherein R3 and R4 are independently a hydrogen atom or an alkyl group and n is an integer of 1 or 2; A is a nitrogen atom or a partial structure of the following formula (III): wherein X3 is a hydrogen atom, a halogen atom, a cyano group, an amino group, an alkyl group, a halogenomethyl group, an alkoxyl group or a halogenomethoxyl group which may have a substituent group; and R is a hydrogen atom, a phenyl group, an acetoxymethyl group, a pivaloyloxymethyl group, an ethoxycarbonyl group, a choline group, a dimethylaminoethyl group, a 5-indanyl group, a phthalidynyl group, a 5-alkyl-2-oxo-1,3-dioxol-4-ylmethyl group, a 3-acetoxy-2-oxobutyl group, an alkyl group, an alkoxymethyl group or a phenylalkyl group, and provides a heterocyclic compound useful as antibacterial drugs.

  本发明涉及由下式(I)代表的N1-(卤代环丙基)-取代的吡啶羧酸衍生物： 其中 X1 是卤素原子或氢原子；X2 是卤素原子；R1 是氢原子、羟基、硫醇基、卤代甲基、氨基、烷基或烷氧基，其中烷基或烷氧基可带有取代基；R2 是由下式（II）代表的基团： 其中 R3 和 R4 独立地为氢原子或烷基，n 为 1 或 2 的整数； A 为氮原子或下式（III）的部分结构： 其中 X3 是氢原子、卤素原子、氰基、氨基、烷基、卤代甲基、烷氧基或可带有取代基的卤代甲氧基；和 R 是氢原子、苯基、乙酰氧甲基、新戊酰氧甲基、乙氧基羰基、胆碱基、二甲基氨基乙基、5-茚基基、酞酰基、5-烷基-2-氧代-1,3-二氧戊环-4-基甲基、3-乙酰氧基-2-氧代丁基、烷基、烷氧基甲基或苯基烷基，并提供一种可用作抗菌药物的杂环化合物。
• HETEROCYCLIC COMPOUNDS
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP0807630B1

  公开（公告）日：2003-05-07
• US6191129B1
  申请人：——

  公开号：US6191129B1

  公开（公告）日：2001-02-20