(2S,4S)-1-{2-[(3S,1R)-3-(1H-1,2,4-triazol-1-ylmethyl)cyclopentylamino]acetyl}-4-fluoropyrrolidine-2-carbonitrile naphthalene-1,5-disulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (2S,4S)-1-{2-[(3S,1R)-3-(1H-1,2,4-triazol-1-ylmethyl)cyclopentylamino]acetyl}-4-fluoropyrrolidine-2-carbonitrile naphthalene-1,5-disulfonate
• 英文别名: (2s,4s)-1-{2-[(3s,1r)-3-(1h-1,2,4-Triazol-1-ylmethyl)cyclopentylamino]acetyl}-4-fluoropyrrolidine-2-carbonitrile naphthalene-1,5-disulfonic acid；(2S,4S)-4-fluoro-1-[2-[[(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile;naphthalene-1,5-disulfonic acid
• 化学式: C₁₀H₈O₆S₂*C₁₅H₂₁FN₆O
• 分子量: 608.672
• InChiKey: GQVFMFLEOOEQEU-QVYXHAGSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.83
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  212
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  美罗利汀 、 1,5-萘二磺酸 以 丙酮 为溶剂， 反应 0.5h， 以to give 1.2 g of the product as a white solid的产率得到(2S,4S)-1-{2-[(3S,1R)-3-(1H-1,2,4-triazol-1-ylmethyl)cyclopentylamino]acetyl}-4-fluoropyrrolidine-2-carbonitrile naphthalene-1,5-disulfonate
  参考文献：
  名称：

  Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them

  摘要：

  本发明涉及一种新型化合物，作为二肽基肽酶IV（DPP-IV）抑制剂，其化学式为：其中X，Y，a，R1和R2如本文所定义。

  公开号：

  US07524844B2

文献信息

• [EN] NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION<br/>[FR] NOUVEAUX INHIBITEURS DE DIPEPTIDYLE PEPTIDASE IV, COMPOSITIONS PHARMACEUTIQUES EN CONTENANT, ET LEUR PROCEDE DE PREPARATION
  申请人：GLENMARK PHARMACEUTICALS SA

  公开号：WO2006040625A1

  公开（公告）日：2006-04-20

  The present invention relates to novel compounds useful as dipeptidyl peptidase IV (DPP-IV) inhibitors of the formula: (I) wherein Y is -S(O)m, -CH2-, CHF, or -CF2; m is 0, 1, or 2; X is a bond, C1-C5 alkyl (e.g., -CH2-), or -C(=0)-; the dotted line [----] in the carbocyclic ring represents an optional double bond; R1 is substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkylalkyl, substituted or unsubstituted cycloalkenyl, substituted or unsubstituted aryl, substituted or unsubstituted arylalkyl, substituted or unsubstituted heteroaryl, substituted or unsubstituted heterocyclic ring, substituted or unsubstituted heterocyclylalkyl, substituted or unsubstituted heteroarylalkyl, CN, -COOR3, CONR3R4, -OR3, -NR3R4, or NR3COR3; R2 is hydrogen, cyano, COOH, or an isostere of a carboxylic acid (such as SO3H, CONOH, B(OH)2, PO3R3R4, SO2NR3R4, tetrazole, -COOR3, -CONR3R4, NR3COR4, or -COOCOR3).

  本发明涉及一种新型化合物，其作为二肽基肽酶IV（DPP-IV）抑制剂的公式如下：(I)，其中Y为-S(O)m，-CH2-，CHF或-CF2；m为0，1或2；X为键，C1-C5烷基（例如，-CH2-），或-C(=0)-；在环状碳环中的虚线[----]表示可选的双键；R1为取代或未取代的环烷基，取代或未取代的环烷基烷基，取代或未取代的环烯基，取代或未取代的芳基，取代或未取代的芳基烷基，取代或未取代的杂芳基，取代或未取代的杂环戊基，取代或未取代的杂环烷基，取代或未取代的杂芳基烷基，CN，-COOR3，CONR3R4，-OR3，-NR3R4或NR3COR3；R2为氢，氰基，COOH或羧酸的同分异构体（例如SO3H，CONOH，B(OH)2，PO3R3R4，SO2NR3R4，四唑，-COOR3，-CONR3R4，NR3COR4或-COOCOR3）。
• Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation
  申请人：Thomas Abraham

  公开号：US20060142585A1

  公开（公告）日：2006-06-29

  The present invention relates to novel compounds useful as dipeptidyl peptidase IV (DPP-IV) inhibitors of the formula: wherein X, Y, a, R 1 , and R 2 are as defined herein.

  本发明涉及作为二肽基肽酶IV（DPP-IV）抑制剂有用的新化合物，其化学式为：其中X，Y，a，R1和R2如此定义。
• NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM
  申请人：Thomas Abraham

  公开号：US20070232608A1

  公开（公告）日：2007-10-04

  The present invention relates to novel compounds useful as dipeptidyl peptidase IV (DPP-IV) inhibitors of the formula: wherein X, Y, a, R 1 , and R 2 are as defined herein.

  本发明涉及一种新型化合物，其可用作二肽基肽酶IV（DPP-IV）抑制剂，其化学式为：其中X、Y、a、R1和R2的定义如本文所述。
• Dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation
  申请人：Glenmark Pharmaceuticals S.A.

  公开号：US07205323B2

  公开（公告）日：2007-04-17

  The present invention relates to novel compounds useful as dipeptidyl peptidase IV (DPP-IV) inhibitors of the formula: wherein X, Y, a, R1, and R2 are as defined herein.

  本发明涉及一种新型化合物，其作为二肽基肽酶IV（DPP-IV）抑制剂具有用途，其化学式为：其中X、Y、a、R1和R2的定义如本文所述。
• NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION
  申请人：Glenmark Pharmaceuticals S.A.

  公开号：EP1799639B1

  公开（公告）日：2013-09-04