(S)-tert-butyl 4-(tert-butoxycarbonylamino)-5-(2-carbamoyl-1H-pyrrol-1-ylamino)-5-oxopentanoate | 1072811-56-3

• 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: (S)-tert-butyl 4-(tert-butoxycarbonylamino)-5-(2-carbamoyl-1H-pyrrol-1-ylamino)-5-oxopentanoate
• 英文别名: tert-butyl (4S)-5-[(2-carbamoylpyrrol-1-yl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
• CAS: 1072811-56-3
• 化学式: C₁₉H₃₀N₄O₆
• 分子量: 410.47
• InChiKey: NXLSAQJZILPSLO-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  142
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (S)-tert-butyl 4-(tert-butoxycarbonylamino)-5-(2-carbamoyl-1H-pyrrol-1-ylamino)-5-oxopentanoate 在 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以90%的产率得到(S)-4-(tert-butoxycarbonylamino)-4-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)butanoic acid
  参考文献：
  名称：

  Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase

  摘要：

  Pyrrolidine, pyrrolidinone, carbocyclic, and acyclic groups were used as isosteric proline replacements in a series of insulin-like growth factor I receptor kinase/insulin receptor kinase inhibitors. Examples that were similar in potency to proline-containing reference compounds were shown to project a key fluoropyridine amide into a common space, while less potent compounds were not able to do so for reasons of stereochemistry or structural rigidity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.045
• 作为产物：
  描述：

  叔丁氧羰基-L-谷氨酸-5-叔丁酯 、 1-氨基-1H-吡咯-2-甲酰胺 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 以85%的产率得到(S)-tert-butyl 4-(tert-butoxycarbonylamino)-5-(2-carbamoyl-1H-pyrrol-1-ylamino)-5-oxopentanoate
  参考文献：
  名称：

  Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase

  摘要：

  Pyrrolidine, pyrrolidinone, carbocyclic, and acyclic groups were used as isosteric proline replacements in a series of insulin-like growth factor I receptor kinase/insulin receptor kinase inhibitors. Examples that were similar in potency to proline-containing reference compounds were shown to project a key fluoropyridine amide into a common space, while less potent compounds were not able to do so for reasons of stereochemistry or structural rigidity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.045

文献信息

• PYRROLOTRIAZINE KINASE INHIBITORS
  申请人：Sampognaro Anthony J.

  公开号：US20100113454A1

  公开（公告）日：2010-05-06

  The invention provides compounds of formula I and pharmaceutically acceptable salts thereof. The formula I compounds inhibit tyrosine kinase activity thereby making them useful as anti-cancer agents and for the treatment of Alzheimer's Disease.

  该发明提供了I式化合物及其药学上可接受的盐。I式化合物通过抑制酪氨酸激酶活性，因此可用作抗癌剂和治疗阿尔茨海默病的药物。
• Pyrrolotriazine kinase inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US08198438B2

  公开（公告）日：2012-06-12

  The invention provides compounds of formula I and pharmaceutically acceptable salts thereof. The formula I compounds inhibit tyrosine kinase activity thereby making them useful as anti-cancer agents and for the treatment of Alzheimer's Disease.

  该发明提供了公式I化合物及其药学上可接受的盐。公式I化合物抑制酪氨酸激酶活性，因此可用作抗癌剂和治疗阿尔茨海默病。
• WO2008/131050
  申请人：——

  公开号：——

  公开（公告）日：——
• US8198438B2
  申请人：——

  公开号：US8198438B2

  公开（公告）日：2012-06-12
• [EN] PYRROLOTRIAZINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PYRROLOTRIAZINE KINASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2008131050A1

  公开（公告）日：2008-10-30

  [EN] The invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof. The formula I compounds inhibit tyrosine kinase activity thereby making them useful as anti-cancer agents and for the treatment of Alzheimer's Disease.
  [FR] L'invention concerne des composés de formule I [INSÉRER LA STRUCTURE CHIMIQUE ICI] (I) et des sels pharmaceutiquement acceptables de ceux-ci. Les composés de formule I empêchent l'activité de tyrosine kinase les rendant ainsi utiles comme agents anticancéreux et pour le traitement de la maladie d'Alzheimer.