5(R,S)-amino-2,3,4,5-tetrahydro-3-methyl-2-(1-methylethyl)-1H-2,3-benzodiazepin-1,4-dione | 400819-88-7

• 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: 5(R,S)-amino-2,3,4,5-tetrahydro-3-methyl-2-(1-methylethyl)-1H-2,3-benzodiazepin-1,4-dione
• 英文别名: 5-amino-3-methyl-2-propan-2-yl-5H-2,3-benzodiazepine-1,4-dione
• CAS: 400819-88-7
• 化学式: C₁₃H₁₇N₃O₂
• 分子量: 247.297
• InChiKey: GAZKQMNYRUHQOA-UHFFFAOYSA-N

物化性质

• 沸点：
  367.4±52.0 °C(Predicted)
• 密度：
  1.184±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  66.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5(R,S)-amino-2,3,4,5-tetrahydro-3-methyl-2-(1-methylethyl)-1H-2,3-benzodiazepin-1,4-dione 在 氯甲酸乙酯 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 2,3,4,5-tetrahydro-3-methyl-5(R,S)-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-2-(1-methylethyl)-1H-2,3-benzodiazepin-1,4-dione
  参考文献：
  名称：

  2,3-Benzodiazepin-1,4-diones as peptidomimetic inhibitors of γ-secretase

  摘要：

  2,3-Benzodiazepin-1,4-diones were designed as peptidomimetics at the carboxy terminus of hydroxyamides. Inhibition of brain Abeta production was improved by one of the compounds containing constrained modification. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.056
• 作为产物：
  描述：

  高邻苯二甲酸酐 在 palladium on activated charcoal 吡啶 、 2,4,6-三异丙基苯磺酰叠氮化物 、 氢气 、 双(三甲基硅烷基)氨基钾 、 溶剂黄146 作用下， 以 乙酸乙酯 为溶剂， -78.0 ℃ 、101.33 kPa 条件下， 反应 12.67h， 生成 5(R,S)-amino-2,3,4,5-tetrahydro-3-methyl-2-(1-methylethyl)-1H-2,3-benzodiazepin-1,4-dione
  参考文献：
  名称：

  2,3-Benzodiazepin-1,4-diones as peptidomimetic inhibitors of γ-secretase

  摘要：

  2,3-Benzodiazepin-1,4-diones were designed as peptidomimetics at the carboxy terminus of hydroxyamides. Inhibition of brain Abeta production was improved by one of the compounds containing constrained modification. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.056

文献信息

• Benzodiazepinone beta -amyloid inhibitors: arylacetamidoalanyl derivatives
  申请人：——

  公开号：US20020022621A1

  公开（公告）日：2002-02-21

  There is provided a series of arylacetamidoalanyl derivatives of benzodiazepinones of Formula I 1 wherein R 1 through R 7 and n are defined herein, which are inhibitors of &bgr;-amyloid peptide (&bgr;-AP) production and are useful in the treatment of Alzheimer's Disease and other conditions characterized by aberrant extract cellular deposition of amyloid.

  提供了一系列苯二氮平酮的芳基乙酰胺基丙氨酸衍生物，其化学式为I1，其中R1至R7和n的定义如本文所述，这些衍生物是β-淀粉样肽（β-AP）生产的抑制剂，可用于治疗阿尔茨海默病和其他因淀粉样物质在细胞中异常沉积而引起的疾病。
• Benzodiazepinone &bgr;-amyloid inhibitors: arylacetamidoalanyl derivatives
  申请人：Bristol-Myers Squibb Company

  公开号：US06432944B1

  公开（公告）日：2002-08-13

  There is provided a series of arylacetamidoalanyl derivatives of benzodiazepinones of Formula I wherein R1 through R7 and n are defined herein, which are inhibitors of &bgr;-amyloid peptide (&bgr;-AP) production and are useful in the treatment of Alzheimer's Disease and other conditions characterized by aberrant extract cellular deposition of amyloid.

  提供了一系列苯二氮平酮的芳基乙酰胺基丙氨酸衍生物，其化学式为I，其中R1至R7和n的定义见此处，它们是β-淀粉样肽（β-AP）产生的抑制剂，可用于治疗阿尔茨海默病和其他表现为淀粉样物质异常沉积的疾病。
• US6432944B1
  申请人：——

  公开号：US6432944B1

  公开（公告）日：2002-08-13
• 2,3-Benzodiazepin-1,4-diones as peptidomimetic inhibitors of γ-secretase
  作者：C.V.C. Prasad、Shikha Vig、David W. Smith、Qi Gao、Craig T. Polson、Jason A. Corsa、Valerie L. Guss、Alice Loo、Donna M. Barten、Ming Zheng、Kevin M. Felsenstein、Susan B. Roberts

  DOI：10.1016/j.bmcl.2004.04.056

  日期：2004.7

  2,3-Benzodiazepin-1,4-diones were designed as peptidomimetics at the carboxy terminus of hydroxyamides. Inhibition of brain Abeta production was improved by one of the compounds containing constrained modification. (C) 2004 Elsevier Ltd. All rights reserved.