N-(trifluoroacetyl)-L-aspartic anhydride

• 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: N-(trifluoroacetyl)-L-aspartic anhydride
• 英文别名: (S)-N-trifluoroacetyl-aspartic Anhydride；(3S)-4-[(2S)-3-carboxy-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]oxy-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
• 化学式: C₁₂H₁₀F₆N₂O₉
• 分子量: 440.21
• InChiKey: JRBGCPAGBWBYSP-IMJSIDKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  176
• 氢给体数：
  4
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  N-(trifluoroacetyl)-L-aspartic anhydride 生成 (3S)-4-oxo-4-(pyridin-3-ylamino)-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
  参考文献：
  名称：

  TSUTIYA, TOEXITO;TAKEHMOTO, TADASI;YUKAVA, TOSIXIDEH

  摘要：

  DOI：

文献信息

• N-substituted-2-amino-4-phenyl-4-oxo-butanoic acid compounds having kynurenine-3-hydroxy base inhibitory activity
  申请人：Pharmacia & Upjohn S.p.A.

  公开号：US06207709B1

  公开（公告）日：2001-03-27

  An N-substituted-2-amino-4-phenyl-4-oxo-butanoic acid compound of the formula (I): wherein X, Y, W and R are as defined herein.

  一种具有如下化学式(I)的N-取代-2-氨基-4-苯基-4-氧代丁酸化合物：其中X、Y、W和R的定义如本文所述。
• Compounds useful for the preparation of medicaments with phosphodiesterase IV inhibitory activity
  申请人：——

  公开号：US20030195257A1

  公开（公告）日：2003-10-16

  Formula (I) compounds are described, where the groups are defined in the description, as well as processes for their preparation and their use as medicaments, particularly as selective phosphodiesterase IV inhibitors. 1

  描述了Formula (I)化合物，其中群在描述中定义，以及它们的制备过程和用途，特别是作为选择性磷酸二酯酶IV抑制剂的药物。
• Benzocycloalkylazolethione derivatives
  申请人：——

  公开号：US05538988A1

  公开（公告）日：1996-07-23

  The present invention relates to novel benzocycloalkylazolethione compounds which are dopamine .beta.-hydroxylase inhibitors in which the benzocycloalkyl portion of the compound is selected from indanyl, 1,2,3,4-tetrahydronaphthalenyl and 6,7,8,9-tetrahydro-5H-benzocycloheptenyl (in which the benzo is optionally substituted with one to three substituents) and the azolethione portion of the compound is selected from 2-thioxo-2,3-dihydro-1H-imidazol-3-yl, 5-thioxo-4,5-dihydro-1H-[1,2,4]triazol-4-yl and 5-thioxo-4,5-dihydro-1H-[1,2,4]triazol-1-yl (each optionally substituted with one to three substituents); and the prodrugs, pharmaceutically acceptable salts, individual isomers and mixtures of isomers and the methods of using and preparing such benzocycloalkylazolethione compounds.

  本发明涉及一种新型苯并环烷基唑硫酮化合物，它们是多巴胺β-羟化酶抑制剂，其中化合物的苯并环烷基部分选自吲哚基、1,2,3,4-四氢萘基和6,7,8,9-四氢-5H-苯并环庚基（其中苯并基可选择性地取代一个到三个取代基），化合物的唑硫酮部分选自2-硫代-2,3-二氢-1H-咪唑-3-基、5-硫代-4,5-二氢-1H-[1,2,4]三唑-4-基和5-硫代-4,5-二氢-1H-[1,2,4]三唑-1-基（每个可选择性地取代一个到三个取代基）；以及这些苯并环烷基唑硫酮化合物的前药、药学上可接受的盐、各个异构体和异构体混合物的使用和制备方法。
• Process for making 1-benzocycloalkyl-1,3-dihydroimidazole-2-thione
  申请人：Syntex (U.S.A.) Inc.

  公开号：US05438150A1

  公开（公告）日：1995-08-01

  The present invention relates to a process for preparing a 5-(N-substituted)aminomethyl-1-benzocycloalkyl-1,3-dihydroimidazole-2-thio ne (wherein the N-substituent is selected from formyl, aminocarbonyl, (C.sub.1-4)alkylcarbonyl or trifluoro (C.sub.1-4)alkylcarbonyl), which process comprises reacting a benzocycloalkylamine with thiocyanic acid and dihydroxyacetone to give a corresponding 5-hydroxymethyl-1-benzocycloalkyl-1,3-dihydroimidazole-2-thione and then reacting the 5-hydroxymethyl-1-benzocycloalkyl-1,3-dihydroimidazole-2-thione with a compound of the formula H.sub.2 NC(0)R.sup.2 in which R.sup.2 is hydrogen, amino, (C.sub.1-4)alkyl or trifluoro(C.sub.1-4)alkyl or with an ammonium salt of the formula NH.sub.4.sup.+ - OC(0)R.sup.3 in which R.sup.3 is hydrogen, (C.sub.1-4)alkyl or trifluoro(C.sub.1-4)alkyl. The present invention also relates to a process for preparing 5-aminomethyl-1-benzocycloalkyl-1,3-dihydroimidazole-2-thiones, which process comprises preparing a 5-(N-substituted)aminomethyl-1-benzocycloalkyl-1,3-dihydroimidazole-2-thio ne (wherein the N-substituent is selected from formyl, (C.sub.1-4)alkylcarbonyl or trifluoro(C.sub.1-4)alkylcarbonyl) by the process described above and then hydrolyzing with acid.

  本发明涉及一种制备5-(N-取代)氨甲基-1-苯并环烷基-1,3-二氢咪唑-2-硫醚的方法（其中N取代基选择自甲酰基，氨基甲酰基，（C.sub.1-4）烷基甲酰基或三氟（C.sub.1-4）烷基甲酰基），该方法包括将苯并环烷基胺与硫氰酸和双羟乙酮反应，得到相应的5-羟甲基-1-苯并环烷基-1,3-二氢咪唑-2-硫醚，然后将5-羟甲基-1-苯并环烷基-1,3-二氢咪唑-2-硫醚与式为H.sub.2 NC(0)R.sup.2（其中R.sup.2为氢，氨基，（C.sub.1-4）烷基或三氟（C.sub.1-4）烷基）的化合物反应，或与式为NH.sub.4.sup.+ - OC(0)R.sup.3（其中R.sup.3为氢，（C.sub.1-4）烷基或三氟（C.sub.1-4）烷基）的铵盐反应。本发明还涉及一种制备5-氨甲基-1-苯并环烷基-1,3-二氢咪唑-2-硫醚的方法，该方法包括通过上述描述的方法制备5-(N-取代)氨甲基-1-苯并环烷基-1,3-二氢咪唑-2-硫醚（其中N取代基选择自甲酰基，（C.sub.1-4）烷基甲酰基或三氟（C.sub.1-4）烷基甲酰基），然后用酸进行水解。
• Fluoro-substituted benzoylpropionic acid derivatives
  申请人：Pharmacia & Upjohn S.p.A.

  公开号：US05973006A1

  公开（公告）日：1999-10-26

  A fluoro-substituted benzoylpropionic acid compound of formula (I) either as a single optical isomer or as a mixture of optical isomers ##STR1## wherein R is hydroxy, amino, hydroxylamine, --OR', --NHR', N(R').sub.2 or --NHOR' in which R' is C.sub.1 -C.sub.6 alkyl or benzyl; or a pharmaceutically acceptable salt thereof.

  一种氟代苯甲酰丙酸衍生物化合物，其化学式为（I），可以是单一的光学异构体或光学异构体混合物，其中R为羟基，氨基，羟胺，-OR'，-NHR'，N（R'）2或-NHOR'，其中R'为C1-C6烷基或苄基；或其药学上可接受的盐。