3-amino-1,2-dihydro-1-methyl-5-(piperidin-1-yl)-3H-1,4-benzodiazepin-2-one | 149081-15-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 3-amino-1,2-dihydro-1-methyl-5-(piperidin-1-yl)-3H-1,4-benzodiazepin-2-one
• 英文别名: 3-Amino-1,3-dihydro-2H-1-methyl-5-(1-piperidinyl)-1,4-benzodiazepin-2-one；1,3-dihydro-1-methyl-3-amino-5-(N-piperidinyl)-2H-1,4-benzodiazepine-2-one；3-amino-1,3-dihydro-1-methyl-5-(1-piperidinyl)-2H-1,4-benzodiazepin-2-one；3-amino-1-methyl-5-piperidin-1-yl-3H-1,4-benzodiazepin-2-one
• CAS: 149081-15-2
• 化学式: C₁₅H₂₀N₄O
• 分子量: 272.35
• InChiKey: FQLHACLNTQGSJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  61.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-乙基苯基异氰酸酯 、 3-amino-1,2-dihydro-1-methyl-5-(piperidin-1-yl)-3H-1,4-benzodiazepin-2-one 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 生成 N-[3(R,S)-2,3-Dihydro-1-methyl-2-oxo-5-(piperidin-1-yl)-1H-1,4-benzodiazepin-3-yl]-N'-[3-ethylphenyl]urea
  参考文献：
  名称：

  Benzodiazepine derivatives and their use as antagonists of

  摘要：

  化学式(I)的化合物，及其盐和前药，其中X是O、S、NR.sup.4或CH.sub.2；R.sup.1代表H、某些可选择取代的C.sub.1-6烷基，或C.sub.3-7环烷基；R.sup.2代表具有某些可选取代基团的苯基；R.sup.3代表C.sub.1-6烷基、卤素或NR.sup.6 R.sup.7；m为2、3或4；当X为CH.sub.2时，n为1、2、3、4、5、6、7或8，当X为O、S或NR.sup.4时，n为2、3、4、5、6、7或8；x为0、1、2或3；它们是CCK和/或胃泌素拮抗剂。因此，它们及其组合物在治疗中是有用的。

  公开号：

  US05696110A1
• 作为产物：
  描述：

  1-甲基-3,4-二氢-1H-苯并[e][1,4]二氮杂卓-2,5-二酮 在 palladium on activated charcoal 五氯化磷 、 potassium tert-butylate 、 氢气 、 三乙胺 、 亚硝酸异戊酯 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 甲苯 为溶剂， -20.0~60.0 ℃ 、275.79 kPa 条件下， 生成 3-amino-1,2-dihydro-1-methyl-5-(piperidin-1-yl)-3H-1,4-benzodiazepin-2-one
  参考文献：
  名称：

  Showell; Bourrain; Neduvelil, Journal of Medicinal Chemistry, 1994, vol. 37, # 6, p. 719 - 721

  摘要：

  DOI：

文献信息

• Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds
  申请人：——

  公开号：US20020045747A1

  公开（公告）日：2002-04-18

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  公开了抑制β-淀粉样肽释放和/或其合成的化合物，因此可用于治疗阿尔茨海默病。还公开了包含抑制β-淀粉样肽释放和/或其合成的化合物的药物组合物，以及使用这些药物组合物预防性和治疗性治疗阿尔茨海默病的方法。
• Cyclic amino acid compounds pharmaceutical compositions comprising same and methods for inhibiting &bgr;-amyloid peptide release and/or its synthesis by use of such compounds
  申请人：Elan Pharmaceuticals, Inc.

  公开号：US06528505B1

  公开（公告）日：2003-03-04

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  公开了抑制β-淀粉样肽释放和/或其合成的化合物，因此可用于治疗阿尔茨海默病。还公开了包含抑制β-淀粉样肽释放和/或其合成的化合物的药物组合物，以及使用这些药物组合物预防性和治疗性治疗阿尔茨海默病的方法。
• Succinoylaminobenzodiazepines as inhibitors of Abeta protein production
  申请人：Olson E. Richard

  公开号：US20060025407A1

  公开（公告）日：2006-02-02

  This invention relates to novel lactams having the formula (I): to their pharmaceutical compositions and to their methods of use. These novel compounds inhibit the processing of amyloid precursor protein and, more specifically, inhibit the production of Aβ-peptide, thereby acting to prevent the formation of neurological deposits of amyloid protein. More particularly, the present invention relates to the treatment of neurological disorders related to β-amyloid production such as Alzheimer's disease and Down's Syndrome.

  这项发明涉及具有以下结构式（I）的新型内酰胺，以及它们的药物组合物和使用方法。这些新型化合物抑制淀粉样前体蛋白的加工，更具体地说，抑制Aβ肽的产生，从而防止神经沉积物的淀粉样蛋白形成。更具体地，本发明涉及与β-淀粉样蛋白产生相关的神经疾病的治疗，如阿尔茨海默病和唐氏综合征。
• Benzodiazepine derivatives as app modulators
  申请人：——

  公开号：US20040082572A1

  公开（公告）日：2004-04-29

  A novel class of 1,4- and 1,5-benzodiazepines of formula (I) is disclosed. The compounds modulate the processing of amyloid precursor protein by &ggr;-secretase, and hence find use in the treatment or prevention of conditions associated with the deposition of &bgr;-amyloid, such as Alzheimer's disease. 1

  公开了一种式(I)的新型1,4-和1,5-苯二氮平类化合物。这些化合物调节&ggr;-分泌酶对淀粉样前体蛋白的加工作用，因此可用于治疗或预防与&bgr;-淀粉样蛋白沉积相关的疾病，如阿尔茨海默病。
• Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting B-amyloid peptide release and/or its synthesis by use of such compounds
  申请人：——

  公开号：US20020173504A1

  公开（公告）日：2002-11-21

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  本发明涉及抑制&bgr;-淀粉样肽的释放和/或合成的化合物，因此具有治疗阿尔茨海默病的效用。还公开了包含抑制&bgr;-淀粉样肽释放和/或合成的化合物的药物组合物，以及使用这种药物组合物预防和治疗阿尔茨海默病的方法。