氨甲酸,(5-环己基-2,3-二氢-1-甲基-2-羰基-1H-1,4-苯并二氮卓-3-基)-,苯基甲基酯 | 146373-97-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 中文名称: 氨甲酸,(5-环己基-2,3-二氢-1-甲基-2-羰基-1H-1,4-苯并二氮卓-3-基)-,苯基甲基酯
• 英文名称: 5-Cyclohexyl-1,3-dihydro-1-methyl-3(R,S)-[(benzyloxycarbonyl)amino]-2H-1,4-benzodiazepin-2-one
• 英文别名: 3-(benzyloxycarbonyl)-amino-5-cyclohexyl-2,3-dihydro-1-methyl-1H-1,4-benzodiazepin-2-one；3(R,S)-[(benzyloxycarbonyl)amino]-5-cyclohexyl-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one；5-Cyclohexyl-1,3-dihydro-1-methyl-3(R,S)[(benzyloxycarbonyl)amino]-2H-1,4-benzodiazepin-2-one；3(R,S)-[(Benzyloxycarbonyl)amino]-5-cydohexyl-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one；benzyl N-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamate
• CAS: 146373-97-9
• 化学式: C₂₄H₂₇N₃O₃
• 分子量: 405.497
• InChiKey: UEHNBARLXNUAGQ-UHFFFAOYSA-N

物化性质

• 沸点：
  638.7±55.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  71
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  氨甲酸,(5-环己基-2,3-二氢-1-甲基-2-羰基-1H-1,4-苯并二氮卓-3-基)-,苯基甲基酯 在 氮 、 乙醚 、 水 、 sodium hydroxide 、 乙酸乙酯 、 Brine 、 Sodium sulfate-III 、 silica gel 、 二氯甲烷 、 甲醇 作用下， 以 溶剂黄146 、 乙醚 为溶剂， 反应 1.75h， 以methanol as the eluant, to afford the title compound (1.6 g)的产率得到3(R,S,)-Amino-5-cyclohexyl-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one
  参考文献：
  名称：

  Benzodiazepine derivatives

  摘要：

  公式（I）的化合物：##STR1##其中R.sub.1是氢或指定的可选取代烷基，R.sup.2是指定的可选取代苯基或吡啶基，x为0、1、2或3，R.sup.3是指定的烷基、卤素或氨基，R.sup.4是指定的环烷基或双环烷基；以及它们的盐和前药，可用作胆囊收缩素和胃泌素受体的拮抗剂。

  公开号：

  US05556969A1
• 作为产物：
  描述：

  (S)-3-amino-1-methyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one 生成 氨甲酸,(5-环己基-2,3-二氢-1-甲基-2-羰基-1H-1,4-苯并二氮卓-3-基)-,苯基甲基酯
  参考文献：
  名称：

  Deoxyamino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting &bgr;-amyloid peptide release and/or its synthesis by use of such compounds

  摘要：

  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地治疗阿尔茨海默病的方法。

  公开号：

  US06509331B1

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。
• Benzodiazepine derivatives, compositions containing them and their use
  申请人：Merck Sharpe & Dohme Ltd.

  公开号：US05410049A1

  公开（公告）日：1995-04-25

  Compounds of formula (I), and salts and prodrugs thereof ##STR1## wherein: R.sup.1 is H, certain optionally substituted C.sub.1-6 alkyl, or C.sub.3-7 cyclocalkyl; R.sup.2 represents a group ##STR2## wherein X is O, S or NR.sup.8 where R.sup.8 is H or C.sub.1-4 alkyl; R.sup.3 is C.sub.1-6 alkyl, halo or NR.sup.6 R.sup.7 ; R.sup.4 is C.sub.1-7 alkyl, C.sub.3-7 cycloalkyl, C.sub.4-7 cycloalkylalkyl or optionally substituted aryl; n is 0, 1, 2 or 3; are CCK and/or gastrin receptor antagonists. They and compositions thereof are useful in therapy.

  公式(I)的化合物，以及它们的盐和前药##STR1##其中：R.sup.1是H，某些可选地取代的C.sub.1-6烷基，或C.sub.3-7环烷基；R.sup.2代表一个组##STR2##其中X是O，S或NR.sup.8，R.sup.8是H或C.sub.1-4烷基；R.sup.3是C.sub.1-6烷基，卤素或NR.sup.6 R.sup.7；R.sup.4是C.sub.1-7烷基，C.sub.3-7环烷基，C.sub.4-7环烷基烷基或可选地取代的芳基；n是0, 1, 2或3；是CCK和/或胃泌素受体的拮抗剂。它们和它们的组合物在治疗中是有用的。
• Heterocyclic 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：Athena Neurosciences, Inc.

  公开号：US06506782B1

  公开（公告）日：2003-01-14

  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地治疗阿尔茨海默病的方法。
• Benzodiazepine derivatives, compositions containing them and their use in therapy
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP0514133A1

  公开（公告）日：1992-11-19

  Compounds of formula (I), and salts and prodrugs thereof wherein:    R¹ represents optionally substituted C₁₋₆alkyl or C₃₋₇cycloalkyl;    R² represents an optionally substituted phenyl or pyridyl group;    R³ represents C₁₋₆ alkyl or halo;    R⁴ represents C₃₋₇ cycloalkyl;    X is 0, 1, 2 or 3; are CCK and/or gastrin antagonists. They and compositions thereof are therefore useful in therapy.

  公式(I)的化合物，以及其盐和前药，其中：R¹代表可选地取代的C₁₋₆烷基或C₃₋₇环烷基；R²代表可选地取代的苯基或吡啶基团；R³代表C₁₋₆烷基或卤素；R⁴代表C₃₇环烷基；X是0、1、2或3；是CCK和/或胃泌素拮抗剂。它们及其组合物因此在治疗中是有用的。