2(S)-(L-histidyl)amino-1-cyclohexyl-3(S)-hydroxy-6-methylheptane | 120377-10-8

• 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: 2(S)-(L-histidyl)amino-1-cyclohexyl-3(S)-hydroxy-6-methylheptane
• 英文别名: (2S)-2-amino-N-[(2S,3S)-1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl]-3-(1H-imidazol-5-yl)propanamide
• CAS: 120377-10-8
• 化学式: C₂₀H₃₆N₄O₂
• 分子量: 364.531
• InChiKey: RTDWRWREHURXGK-FHWLQOOXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  104
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2(S)-(L-histidyl)amino-1-cyclohexyl-3(S)-hydroxy-6-methylheptane 生成 (2S)-2-benzyl-N-[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxo-4-pyridin-3-ylbutanamide
  参考文献：
  名称：

  XEHMMI, KEHJDZI;KATSURA, MASAXIRO;IMAI, XIROSUKEH;KAYAKIRI, NATSUKO;XASIM+

  摘要：

  DOI：
• 作为产物：
  描述：

  2(S)-(N-t-butoxycarbonyl-L-histidyl)amino-1-cyclohexyl-3(S)-hydroxy-6-methylheptane 以 乙酸乙酯 、 三氟乙酸 为溶剂， 生成 2(S)-(L-histidyl)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：

  该化合物的结构式为：##STR1##其中R.sup.1为芳基，可选择地取代为卤素和卤代(低)烷基；低烷基或环(低)烷基；R.sup.2为氢或低烷基，或R.sup.1和R.sup.2与连接的氮原子一起形成一个杂环基，可选择地取代为低烷基和酯化羧基；R.sup.3为氢或低烷基，R.sup.4为低烷基，以及其药学上可接受的盐，制备方法和包含该化合物的药物组合物。

  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.

  一种化合物的化学式如下：##STR1## 其中R.sup.1是较低的烷基，可选择性地被选自以下群组的取代基取代，所述群组包括酰基、羟基、较低的烷氧基、芳基、较低的烷基硫基和化学式为：##STR2## 其中R.sup.5是氢或酰基，R.sup.6是氢或较低的烷基；芳基；或氨基，可选择性地被选自以下群组的取代基取代，所述群组包括较低的烷基和酰基；R.sup.2是氢或较低的烷基；或R.sup.1和R.sup.2与所连接的氮原子一起形成杂环基，可选择性地被选自以下群组的取代基取代，所述群组包括较低的烷基、羟基（较低的）烷基、较低的烷氧基（较低的）烷基、酰基（较低的）烷基、氧代和酰基；R.sup.3是氢或较低的烷基；R.sup.4是较低的烷基；以及其药学上可接受的盐，其制备方法和包含其的制药组合物。
• 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
• New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0300189A2

  公开（公告）日：1989-01-25

  A compound of the formula : wherein R1 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 : in which R5 is hydrogen or acyl and R6 is hydrogen or lower alkyl; aryl; or amino optionally substituted with substituent(s) selected from the group consisting of lower alkyl and acyl; and R2 is hydrogen or lower alkyl; or R1 and R2 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; R3 is hydrogen or lower alkyl; and R4 is lower alkyl; and its pharmaceutically acceptable salt, processes for the preparation thereof and pharmaceutical composition comprising the same.

  一种式如下的化合物 其中 R1 是低级烷基，可任选被选自以下组别的取代基取代：酰基、羟基、低级烷氧基、芳基、低级烷硫基和一个式......的基团： 其中 R5 为氢或酰基，且 R6 是氢或低级烷基；芳基；或被选自低级烷基和酰基的取代基任选取代的氨基；以及 R2 是氢或低级烷基；或 R1 和 R2 与所连接的氮原子一起形成杂环基团，该杂环基团可任选被选自由低级烷基、羟基（低级）烷基、低级烷氧基（低级）烷基、酰基（低级）烷基、氧代和酰基组成的取代基取代； R3 是氢或低级烷基；和 R4 是低级烷基； 及其药学上可接受的盐、制备工艺和包含这些成分的药物组合物。