(2S,5R)-5-ethynyl-1-{N-(4-methyl-1-(4-methoxycarbonylbenzoyl)piperidin-4-yl)glycyl}pyrrolidine-2-carbonitrile | 676559-80-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2S,5R)-5-ethynyl-1-{N-(4-methyl-1-(4-methoxycarbonylbenzoyl)piperidin-4-yl)glycyl}pyrrolidine-2-carbonitrile
• 英文别名: methyl 4-[4-[[2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]-4-methylpiperidine-1-carbonyl]benzoate
• CAS: 676559-80-1
• 化学式: C₂₄H₂₈N₄O₄
• 分子量: 436.511
• InChiKey: KXRWWPBGASDSIL-PMACEKPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (2S,5R)-1-(氯乙酰基)-5-乙炔基-2-吡咯烷甲腈 、 4-(4-Amino-4-methyl-piperidine-1-carbonyl)-benzoic acid methyl ester 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 48.0h， 生成 (2S,5R)-5-ethynyl-1-{N-(4-methyl-1-(4-methoxycarbonylbenzoyl)piperidin-4-yl)glycyl}pyrrolidine-2-carbonitrile
  参考文献：
  名称：

  [EN] PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV)
  [FR] COMPOSITIONS PHARMACEUTIQUES UTILES COMME INHIBITEURS DE LA PEPTIDASE-IV DIPEPTIDYL (DPP-IV)

  摘要：

  公开号：

  WO2004026822A3

文献信息

• Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV)
  申请人：Madar J. David

  公开号：US20050215784A1

  公开（公告）日：2005-09-29

  The present invention relates to compounds that inhibit dipeptidyl peptidase IV (DPP-IV) and are useful for the prevention or treatment of diabetes, especially type II diabetes, as well as hyperglycemia, Syndrome X, hyperinsulinemia, obesity, atherosclerosis, and various immunomodulatory diseases.

  本发明涉及抑制二肽基肽酶IV（DPP-IV）的化合物，用于预防或治疗糖尿病，特别是II型糖尿病，以及高血糖、X综合征、高胰岛素血症、肥胖、动脉粥样硬化和各种免疫调节性疾病。
• Malonyl-coa decarboxylase inhibitors useful as metabolic modulators
  申请人：——

  公开号：US20040082576A1

  公开（公告）日：2004-04-29

  The present invention relates to novel compounds (I), their prodrugs, and the pharmaceutically acceptable salts as well as pharmaceutical compositions containing such compounds useful in treating certain metabolic diseases and diseases modulated by the inhibition of the enzyme malonyl-coenzyme A decarboxylase (malonyl-CoA decarboxylase, MCD). In particular, the invention relates to compounds and compositions and the methods for the prophylaxis, management and treatment of cardiovascular diseases, diabetes, acidosis, cancers, and obesity through the inhibition of malonyl-coenzyme A decarboxylase.

  本发明涉及新颖化合物（I）、它们的前药以及药学上可接受的盐，以及含有这种化合物的制药组合物，用于治疗某些代谢疾病和受酰辅酶A丙酮酸羧化酶（丙酮酸辅酶A羧化酶，MCD）抑制调节的疾病。具体而言，本发明涉及化合物和组合物以及通过抑制受酰辅酶A丙酮酸羧化酶的方法预防、管理和治疗心血管疾病、糖尿病、酸中毒、癌症和肥胖症。
• Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV)
  申请人：Madar J. David

  公开号：US20070238753A1

  公开（公告）日：2007-10-11

  The present invention relates to compounds that inhibit dipeptidyl peptidase IV (DPP-IV) and are useful for the prevention or treatment of diabetes, especially type II diabetes, as well as hyperglycemia, Syndrome X, hyperinsulinemia, obesity, atherosclerosis, and various immunomodulatory diseases.

  本发明涉及抑制二肽基肽酶IV（DPP-IV）的化合物，适用于预防或治疗糖尿病，特别是2型糖尿病，以及高血糖、X综合症、高胰岛素血症、肥胖症、动脉硬化和各种免疫调节性疾病。
• Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators
  申请人：Arrhenius Thomas

  公开号：US20100016259A1

  公开（公告）日：2010-01-21

  The present invention relates to novel compounds (I), their prodrugs, and the pharmaceutically acceptable salts as well as pharmaceutical compositions containing such compounds useful in treating certain metabolic diseases and diseases modulated by the inhibition of the enzyme malonyl-coenzyme A decarboxylase (malonyl-CoA decarboxylase, MCD). In particular, the invention relates to compounds and compositions and the methods for the prophylaxis, management and treatment of cardiovascular diseases, diabetes, acidosis, cancers, and obesity through the inhibition of malonyl-coenzyme A decarboxylase.

  本发明涉及新型化合物(I)及其前药，以及药学上可接受的盐和含有这种化合物的制剂。这些化合物在治疗某些代谢性疾病和受酰辅酶A丙酮酸羧化酶(malonyl-CoA decarboxylase，MCD)抑制调节的疾病方面有用。具体而言，本发明涉及化合物和制剂以及通过抑制受酰辅酶A丙酮酸羧化酶的预防、管理和治疗心血管疾病、糖尿病、酸中毒、癌症和肥胖症的方法。
• PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV)
  申请人：Madar J. David

  公开号：US20070265302A1

  公开（公告）日：2007-11-15

  The present invention relates to compounds which inhibit dipeptidyl peptidase IV (DPP-IV) and are useful for the prevention or treatment of diabetes, especially type II diabetes, as well as hyperglycemia, Syndrome X, hyperinsulinemia, obesity, atherosclerosis, and various immunomodulatory diseases.

  本发明涉及抑制二肽基肽酶IV（DPP-IV）的化合物，可用于预防或治疗糖尿病，特别是II型糖尿病，以及高血糖、X综合征、高胰岛素血症、肥胖症、动脉硬化和各种免疫调节性疾病。