2(S)-amino-1-cyclohexyl-3(S)-hydroxy-6-methylheptane | 120377-07-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2(S)-amino-1-cyclohexyl-3(S)-hydroxy-6-methylheptane
• 英文别名: (2S,3S)-2-amino-1-cyclohexyl-6-methylheptan-3-ol
• CAS: 120377-07-3
• 化学式: C₁₄H₂₉NO
• 分子量: 227.39
• InChiKey: CKGMOMHVIYUFJU-KBPBESRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2(S)-amino-1-cyclohexyl-3(S)-hydroxy-6-methylheptane 、 (R)-N-[(S)-1-Hydrazinocarbonyl-2-(1H-imidazol-4-yl)-ethyl]-4-morpholin-4-yl-2-naphthalen-1-ylmethyl-4-oxo-butyramide 在 盐酸 、 三乙胺 、 亚硝酸异戊酯 作用下， 生成 (2R)-N-[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanamide
  参考文献：
  名称：

  Novel Renin Inhibitors Containing (2S,3S,5S)-2-Amino-1-cyclohexyl-6-methyl-3,5-heptanediol Fragment as a Transition-state Mimic at the P1-P1' Cleavage Site.

  摘要：

  合成了一系列含有(2S, 3S, 5S)-2-氨基-1-环己基-6-甲基-3, 5-庚二醇（2-氨基-3, 5-反-二醇）片段作为新型过渡态模拟物的新型肾素抑制剂，并评价了它们的生物活性。所有在P1-P1'位置含有2-氨基-3, 5-反-二醇片段的合成化合物均表现出高体外肾素抑制活性，IC50值在10-8至10-10M范围内，并且大多数化合物在口服给盐缺乏的清醒狨猴时能降低血压。在P4位置含有4-羟基哌啶残基的抑制剂（29）在降低血压作用的强度和持续时间方面表现出最高的活性。

  DOI：

  10.1248/cpb.45.1631
• 作为产物：
  描述：

  2(S)-t-butoxycarbonylamino-1-cyclohexyl-3(S)-hydroxy-6-methylheptane 在 乙酸乙酯 、 碳酸氢钠 、 magnesium sulfate 作用下， 以 三氟乙酸 为溶剂， 反应 0.5h， 以to give 2(S)-amino-1-cyclohexyl-3(S)-hydroxy-6-methylheptane (412 mg) as an oil的产率得到2(S)-amino-1-cyclohexyl-3(S)-hydroxy-6-methylheptane
  参考文献：
  名称：

  Renin inhibitor peptide compounds, a process for the preparation thereof

  摘要：

  化合物的式子为：##STR1## 其中R.sup.1是芳基，可选地被卤素和卤代（低）烷基取代；低碳基或环（低）烷基；R.sup.2是氢或低碳基，或R.sup.1和R.sup.2与附着的氮原子一起形成杂环基，可选地被选自低碳基和酯化羧基的取代基取代，R.sup.3是氢或低碳基，R.sup.4是低碳基，以及其药学上可接受的盐，其制备方法和包含其的药物组成。

  公开号：

  US04963530A1

文献信息

• New Histidyl amino acid derivatives, and pharmaceutical composition
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04921855A1

  公开（公告）日：1990-05-01

  A compound of the formula: ##STR1## wherein R.sup.1 is lower alkyl optionally substituted with a substituent selected from the group consisting of acyl, hydroxy, lower alkoxy, aryl, lower alkylthio and a group of the formula: ##STR2## in which R.sup.5 is hydrogen or acyl and R.sup.6 is hydrogen or lower alkyl; aryl; or amino optionally substituted with substituent(s) selected from the group consisting of lower alkyl and acyl; and R.sup.2 is hydrogen or lower alkyl; or R.sup.1 and R.sup.2 are taken together with the attached nitrogen atom to form a heterocyclic group optionally substituted with substituent(s) selected from the group consisting of lower alkyl, hydroxy(lower )alkyl, lower alkoxy(lower)alkyl, acyl(lower)alkyl, oxo and acyl; R.sup.3 is hydrogen or lower alkyl; and R.sup.4 is lower alkyl; and its pharmaceutically acceptable salt, processes for the preparation thereof and pharmaceutical composition comprising the same.

  该化合物的化学式如下：##STR1##其中R.sup.1是选择自酰基、羟基、较低烷氧基、芳基、较低烷硫基和化学式组成的取代基的较低烷基，其中R.sup.5是氢或酰基，R.sup.6是氢或较低烷基；芳基；或氨基，可选择地带有来自较低烷基和酰基的取代基，R.sup.2是氢或较低烷基；或R.sup.1和R.sup.2与相连的氮原子一起形成可选择地带有来自较低烷基、羟基(较低)烷基、较低烷氧基(较低)烷基、酰基(较低)烷基、氧代基和酰基的取代基的杂环基；R.sup.3是氢或较低烷基；R.sup.4是较低烷基；以及其药学上可接受的盐、其制备方法和包含其的药物组合物。
• Intermediate for synthesis and production of amino acid derivative
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05523410A1

  公开（公告）日：1996-06-04

  The present invention relates to synthetic intermediates useful for preparing amino acid derivatives possessing renin-inhibitory activity, and to processes for preparing the amino acid derivatives using the synthetic intermediates.

  本发明涉及用于制备具有肾素抑制活性的氨基酸衍生物的合成中间体，以及使用这些合成中间体制备氨基酸衍生物的过程。
• Amino acid derivatives, processes for the preparation thereof and
  申请人：Ujisawa Pharmaceutical Co., Ltd.

  公开号：US05223489A1

  公开（公告）日：1993-06-29

  A compound of the formula: ##STR1## wherein R.sup.1 is lower alkyl optionally substituted aryl; or amino optionally substituted; and R.sup.2 is hydrogen or lower alkyl; or R.sup.1 and R.sup.2 are taken together with the attached nitrogen atom to form a heterocyclic group optionally substituted; R.sup.3 is hydrogen or lower alkyl; and R.sup.4 is lower alkyl; and its pharmaceutically acceptable salt, processes for the preparation thereof and pharmaceutical composition comprising the same

  一种化合物的公式：##STR1##其中R.sup.1是低碳基可选择取代芳基; 或氨基可选择取代; R.sup.2是氢或低碳基; 或R.sup.1和R.sup.2与所连接的氮原子一起形成可选择取代的杂环基团; R.sup.3是氢或低碳基; R.sup.4是低碳基; 以及其药学上可接受的盐，其制备方法和包含该化合物的药物组成物。
• Intermediate for preparation of amino acid derivatives
  申请人：Fujisawa Pharmaceutical Company, Ltd.

  公开号：US05142048A1

  公开（公告）日：1992-08-25

  The invention relates to novel intermediate compounds for preparation of novel amino acid derivatives having renin inhibiting activity.

  本发明涉及用于制备具有肾素抑制活性的新型氨基酸衍生物的新型中间体化合物。
• New peptide compounds, a process for the preparation thereof and pharmaceutical composition comprising the same
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0283970A2

  公开（公告）日：1988-09-28

  A compound of the formula : wherein R1 is aryl optionally substituted with a substituent selected from the group consisting of halogen and halo(lower)alkyl; lower alkyl or cyclo(lower)alkyl; and R2 is hydrogen or lower alkyl, or R' and R2 are taken together with the attached nitrogen atom to form a heterocylic group optionally substituted with a substituent selected from the group consisting of lower alkyl and esterified carboxy, R3 is hydrogen or lower alkyl, and R4 is lower alkyl, and its pharmaceutically acceptable salt, a process for the preparation thereof and pharmaceutical composition comprising the same

  式中的化合物： 其中 R1 是芳基，可任选被选自由卤素和卤代（低级）烷基组成的取代基取代； 低级烷基或环（低级）烷基；以及 R2 是氢或低级烷基，或 R' 和 R2 与相连的氮原子一起形成杂环基团，该杂环基团可选择被选自低 级烷基和酯化羧基的取代基取代、 R3 是氢或低级烷基，以及 R4 是低级烷基、 及其药学上可接受的盐、其制备方法和包含其的药物组合物