2-Benzyloxycarbonylamino-5,5-dimethyl-hex-2-enoic acid methyl ester | 507264-79-1

• 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: 2-Benzyloxycarbonylamino-5,5-dimethyl-hex-2-enoic acid methyl ester
• 英文别名: methyl 5,5-dimethyl-2-(phenylmethoxycarbonylamino)hex-2-enoate
• CAS: 507264-79-1
• 化学式: C₁₇H₂₃NO₄
• 分子量: 305.374
• InChiKey: CLTYKEQQRFBTLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Benzyloxycarbonylamino-5,5-dimethyl-hex-2-enoic acid methyl ester 在 palladium 10% on activated carbon 、 氢气 作用下， 生成 、 methyl (S)-2-amino-5,5-dimethylhexanoate
  参考文献：
  名称：

  Anthranilimide-based glycogen phosphorylase inhibitors for the treatment of Type 2 diabetes: 2. Optimization of serine and threonine ether amino acid residues

  摘要：

  Optimization of the amino acid residue of a series of anthranilimide-based glycogen phosphorylase inhibitors is described leading to the identification of serine and threonine ether analogs. t-Butylthreonine analog 20 displayed potent in vitro inhibition of GPa, low potential for P450 inhibition, and excellent pharmacokinetic properties. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.084
• 作为产物：
  描述：

  3,3-二甲基丁醛 、 N-Cbz-2-(diethoxyphosphoryl)glycine methyl ester 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 为溶剂， 生成 2-Benzyloxycarbonylamino-5,5-dimethyl-hex-2-enoic acid methyl ester
  参考文献：
  名称：

  Anthranilimide-based glycogen phosphorylase inhibitors for the treatment of Type 2 diabetes: 2. Optimization of serine and threonine ether amino acid residues

  摘要：

  Optimization of the amino acid residue of a series of anthranilimide-based glycogen phosphorylase inhibitors is described leading to the identification of serine and threonine ether analogs. t-Butylthreonine analog 20 displayed potent in vitro inhibition of GPa, low potential for P450 inhibition, and excellent pharmacokinetic properties. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.084

文献信息

• Novel compounds useful as reversible inhibitors of cysteine proteases
  申请人：——

  公开号：US20020137932A1

  公开（公告）日：2002-09-26

  Disclosed are novel cathepsin S, K, F, L and B reversible inhibitory compounds of the formula (Ia) and (Ib) where R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , Het and X are defined herein. The compounds are useful for treating autoimmune and other diseases. Also disclosed are processes for making such novel compounds. 1

  揭示了一种新型的cathepsin S、K、F、L和B的可逆抑制化合物，其化学式为(Ia)和(Ib)，其中R2、R3、R4、R5、R6、R7、R8、Het和X的定义如下。这些化合物可用于治疗自身免疫和其他疾病。还公开了制备这种新型化合物的方法。
• Compounds useful as reversible inhibitors of cysteine proteases
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20030216383A1

  公开（公告）日：2003-11-20

  Disclosed are novel cathepsin S, K, F, L and B reversible inhibitory compounds of the formula (Ia) and (Ib) where R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , Het and X are defined herein. The compounds are useful for treating autoimmune and other diseases. Also disclosed are processes for making such novel compounds. 1

  本发明揭示了一种新的cathepsin S、K、F、L和B可逆抑制化合物，其化学式为(Ia)和(Ib)，其中R2、R3、R4、R5、R6、R7、R8、Het和X的定义如下。这些化合物对于治疗自身免疫和其他疾病非常有用。本发明还揭示了制备这种新化合物的方法。
• Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof
  申请人：Evans Karen

  公开号：US20070249670A1

  公开（公告）日：2007-10-25

  The invention relates to glycogen phosphorylase inhibitor compounds, pharmaceutical compositions of these compounds, methods of treatment using the pharmaceutical compositions to treat diabetes, conditions associated with diabetes, and/or tissue ischemia, including myocardial ischemia, and processes for making the compounds.

  本发明涉及糖原磷酸化酶抑制剂化合物、这些化合物的药物组合物、使用这些药物组合物治疗糖尿病、与糖尿病相关的疾病和/或组织缺血，包括心肌缺血的方法，以及制备这些化合物的过程。
• Cyanoamido-containing heterocyclic compounds useful as reversible inhibitors of cysteine proteases
  申请人：Bekkali Younes

  公开号：US06936606B2

  公开（公告）日：2005-08-30

  Disclosed are novel cathepsin S, K, F, L and B reversible inhibitory compounds of the formulas (Ia) and (Ib) where R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 8 , R 9 and X are defined herein. The compounds are useful for treating autoimmune and other diseases. Also disclosed are processes for making such novel compounds

  本发明揭示了一种新的cathepsin S、K、F、L和B可逆抑制化合物，其化学式为(Ia)和(Ib)，其中R1、R2、R3、R4、R5、R6、R8、R9和X的定义如下。这些化合物可用于治疗自身免疫和其他疾病。本发明还揭示了制备这些新化合物的方法。
• COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES
  申请人：BOEHRINGER INGELHEIM PHARMACEUTICALS INC.

  公开号：EP1434769A2

  公开（公告）日：2004-07-07