3-(N-苄基-N-甲基氨基甲酰基)丙酸 | 69049-90-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-(N-苄基-N-甲基氨基甲酰基)丙酸
• 英文名称: 3-(N-benzyl-N-methylcarbamoyl) propionic acid
• 英文别名: 3-(N-benzyl-N-methylcarbamoyl)-propionic acid；4-[Benzyl(methyl)amino]-4-oxobutanoic acid
• CAS: 69049-90-7
• 化学式: C₁₂H₁₅NO₃
• mdl: MFCD03193260
• 分子量: 221.256
• InChiKey: QVLQRCDRWHFXRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  3-(N-苄基-N-甲基氨基甲酰基)丙酸 在 二苯基膦叠氮化物 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 2.25h， 生成
  参考文献：
  名称：

  Synthesis and DNA-cleaving activity of lactenediynes conjugated with DNA-complexing moieties

  摘要：

  Lactenediynes are compounds characterized by the fusion of a beta-lactam with a cyclodeca-3-ene-1,5-diyne. In this work the most promising members of this family have been activated by attaching a carbalkoxy or a carbamoyl group to the azetidinone nitrogen, and conjugated to various DNA-complexing moieties, either acting by intercalation or through groove binding. These conjugated artificial enediynes have been demonstrated to possess in vitro ability to produce single and double strand cleavage of plasmid DNA. As potency and capacity to induce double cut, they rank among the best simple enediyne analogues ever prepared. A thorough investigation was carried out in order to develop the best suited linkers for assembling these conjugates. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.02.022
• 作为产物：
  描述：

  丁二酸酐 、 N-甲基苄胺 以 乙醇 为溶剂， 反应 48.0h， 以70%的产率得到3-(N-苄基-N-甲基氨基甲酰基)丙酸
  参考文献：
  名称：

  Lavastre, Isabelle; Besancon, Jack; Moiese, Claude, Bulletin de la Societe Chimique de France, 1995, vol. 132, # 2, p. 188 - 195

  摘要：

  DOI：

文献信息

• Heterocyclic compounds
  申请人：Ono Pharmaceutical Co., Ltd.

  公开号：US05053414A1

  公开（公告）日：1991-10-01

  Heterocyclic compounds of the general formula: ##STR1## wherein Z represents methylene group or sulfur atom, R represents a general formula: G--E--D--B--A-- G represents a carbocyclic or heterocyclic ring.

  通式为：##STR1## 的杂环化合物，其中Z代表亚甲基基团或硫原子，R代表一个通式：G--E--D--B--A--，其中G代表一个碳环或杂环，E、D、B、A均为基团。
• Anti-amnesic pyrrolidine derivatives
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0345428A1

  公开（公告）日：1989-12-13

  Heterocyclic compounds of the general formula: wherein, Z represents a methylene group or a sulfur atom, and non-toxic salts or hydrates thereof possess an inhibitory activity on prolyl endopeptidase, and therefore are usefull for prevention and/or treatment of amnesia.

  通式如下的杂环化合物 其中，Z 代表亚甲基或硫原子，其无毒盐或水合物对脯氨酰内肽酶具有抑制活性，因此可用于预防和/或治疗健忘症。
• N-acylpyrrolidines and N-acylthiazolidines, process for their preparation and their use for prevention and/or treatment of amnesia
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0537802A2

  公开（公告）日：1993-04-21

  N-Acyl Pyrrozidines and N-Acyl Thiazolidines of the general formula: wherein, Z represents a methylene group or a sulfur atom, their non-toxic salts or hydrates. The compounds possess an inhibitory activity on propyl endopeptidase, and therefore are usefull for the prevention and/or treatment of amnesia.

  通式为 N-酰基吡咯烷和 N-酰基噻唑烷： 其中，Z 代表亚甲基或硫原子，它们的无毒盐或水合物。这些化合物对丙基内肽酶具有抑制活性，因此可用于预防和/或治疗健忘症。
• Anti-amnesic thiazolidine derivatives
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0965585A1

  公开（公告）日：1999-12-22

  In the present application there is described a thiazolidine derivative of the general formula: [wherein A represents a bond, alkylene group of from 1 to 6 carbon atom(s), alkenylene group of from 2 to 6 carbon atoms, a group of general formula: (wherein Y represents alkylene group of from 1 to 4 carbon atom(s) or alkenylene group of from 2 to 4 carton atoms.) or a saturated hydrocarbon ring of from 4 to 7 carbon atoms or heterocyclic mono ring. B represents a bond or alkylene group of from 1 to 6 carbon atom(s). D represents a bond, oxygen atom, carbonyl group or a group of general formula:         -NR1-CO- or -CO-NR1- (wherein R1 represents hydrogen atom, alkyl group of from 1 to 6 carbon atom(s), phenyl group or benzyl group. E represents a bond, alkylene group of from 1 to 8 carbon atom(s) or alkylene group of from 1 to 8 carbon atom(s) substituted by phenyl or benzyl group. G represents a carbocyclic or heterocyclic ring which is unsubstituted or substituted by 1 ∼ 3 of alkyl group of from 1 to 6 carbon atom(s), alkoxy group of from 1 to 6 carbon atom(s), halogen atom, trifluoromethyl group or nitro group. L represents a group of general formula:         -CO-COR2         -CH(OH)-COR2         -CH(OR3)2         -CH(OH)-R4         -CO-R4         -CO-CH2-COR2         -CH(OH)-CH2-COR2         -CO-CF2-COR2         -CH(OH)-CF2-COR2         -CO-CO-NR5R6 or         -CO-CH2-CO-NR5R6 (wherein, R2 represents hydroxy group, alkoxy group of from 1 to 6 carbon atom(s), or alkoxy group of from 1 to 6 carbon atom(s) substituted by phenyl group. R3 represents alkyl group of from 1 to 6 carbon atom(s), phenyl group, or alkyl group of from 1 to 6 carbon atom(s) substituted by phenyl group. R4 represents alkyl group of from 1 to 6 carbon atom(s), phenyl group, alkyl group of from 1 to 6 carbon atom(s) substituted by phenyl group or trifluoromethyl group. R5 and R6 independently represents hydrogen atom, alkyl group of from 1 to 6 carbon atom(s), phenyl group, or alkyl group of from 1 to 6 carbon atom(s) substituted by phenyl group.) With the proviso that the compounds wherein both of A and B are bonds are excluded: or non-toxic salt or hydrate thereof.

  本申请描述了一种通式如下的噻唑烷衍生物： [其中 A 代表键、1 至 6 个碳原子的亚烷基、2 至 6 个碳原子的烯基、通式如下的基团： (其中 Y 代表 1 至 4 个碳原子的亚烷基或 2 至 4 个碳原子的烯基）或 4 至 7 个碳原子的饱和烃环或杂环单环。B 代表键或 1 至 6 个碳原子的烯基。D 代表键、氧原子、羰基或通式中的基团： -NR1-CO-或 -CO-NR1- (其中 R1 代表氢原子、1 至 6 个碳原子的烷基、苯基或苄基。 E 代表键、1 至 8 个碳原子的亚烷基或被苯基或苄基取代的 1 至 8 个碳原子的亚烷基。 G 代表未被取代或被 1 ∼ 3 个 1 ∼ 6 个碳原子的烷基、1 ∼ 6 个碳原子的烷氧基、卤素原子、三氟甲基或硝基取代的碳环或杂环。 L 代表通式如下的基团 -CO-COR2 -CH(OH)-COR2 -CH(OR3)2 -CH(OH)-R4 -CO-R4 -CO-CH2-COR2 -CH(OH)- -COR2 -CO-CF2-COR2 -CH(OH)-CF2-COR2 -CO-CO-NR5R6 或 -CO- -CO-NR5R6或 (其中，R2 代表羟基、1 至 6 个碳原子的烷氧基或被苯基取代的 1 至 6 个碳原子的烷氧基。 R3 代表 1-6 个碳原子的烷基、苯基或被苯基取代的 1-6 个碳原子的烷基。 R4 代表 1-6 个碳原子的烷基、苯基、被苯基或三氟甲基取代的 1-6 个碳原子的烷基。 R5 和 R6 独立地代表氢原子、1 至 6 个碳原子的烷基、苯基或被苯基取代的 1 至 6 个碳原子的烷基）。 但 A 和 B 均为键的化合物除外：或其无毒盐或水合物。
• N-acylpyrrolidines, process for their preparation and their use for prevention and/or treatment of amnesia
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0537802B1

  公开（公告）日：1999-08-25