[(2S)-1-[[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl] N-methyl-N-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamate

• 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: [(2S)-1-[[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl] N-methyl-N-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamate
• 化学式: C₄₀H₆₃N₇O₇
• 分子量: 754.0
• InChiKey: ROLLOXGFWONEIX-ZYADHFCISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  54
• 可旋转键数：
  19
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  161
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (2S)-N-[(2S,3S)-1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl]-2-(methylamino)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanamide 生成 [(2S)-1-[[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl] N-methyl-N-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamate
  参考文献：
  名称：

  XEHMMI, KEHJDZI;KEHJ, MASAXIRO;MARUSAVA, XIROSI;IMAI, KEHJSUKEH;KAYAKIRI,+

  摘要：

  DOI：

文献信息

• 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。
• REMEDY FOR RENAL DISEASES
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0573652A1

  公开（公告）日：1993-12-15

  A remedy for renal diseases containing an amino acid derivative represented by general formula (I) or its salt as the active ingredient. In the said formula, R¹ represents optionally substituted lower alkyl, etc.; R² represents hydrogen or lower alkyl, or alternatively R¹ and R² form together with the adjacent nitrogen atom an optionally substituted heterocyclic group; R³ represents hydrogen or lower alkyl; and R⁴ represents lower alkyl.

  一种治疗肾病的药物，含有通式(I)代表的氨基酸衍生物或其盐作为活性成分。在上述式中，R¹代表任选取代的低级烷基等；R²代表氢或低级烷基，或者R¹和R²与相邻的氮原子一起形成任选取代的杂环基团；R³代表氢或低级烷基；R⁴代表低级烷基。
• NOVEL INTERMEDIATE FOR SYNTHESIS AND PRODUCTION OF AMINO ACID DERIVATIVE
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0648747A1

  公开（公告）日：1995-04-19

  A novel intermediate (II) for use in synthesis which is useful for the production of an amino acid derivative (I) having a renin-inhibiting activity, and a process for producing the derivative (I) which involves the reaction step represented by the figure, wherein R¹ represents lower alkyl, etc., which may be substituted by -NR⁷-CO-NR⁸R⁹ (wherein R⁷ represents hydrogen or lower alkyl, and R⁸ and R⁹ may be combined together with the adjacent nitrogen atom to represent an optionally substituted heterocyclic group), etc.; R² represents hydrogen, lower alkyl, etc., R³ represents hydrogen or lower alkyl; R⁴ represents hydrogen or an N-protecting group; R⁵ represents hydrogen or a carboxyl-protecting group; and R¹⁰ represents lower alkyl. This process, proceeding via the intermediate (II), is industrially advantageous because the final product (I) can be obtained in a high yield from an inexpensive starting material as compared with the conventional processes and hence the production cost can be reduced remarkably.

  一种用于合成的新型中间体（II），该中间体可用于生产具有肾素抑制活性的氨基酸衍生物（I），以及一种生产该衍生物（I）的工艺，该工艺涉及如图所示的反应步骤，其中 R¹ 代表低级烷基等、R⁷-CO-NR⁸R⁹（其中 R⁷ 代表氢或低级烷基，R⁸ 和 R𠞙 可与相邻的氮原子结合在一起代表任选取代的杂环基团）等取代；R² 代表氢、低级烷基等、R³ 代表氢或低级烷基；R⁴ 代表氢或 N 保护基团；R⁵ 代表氢或羧基保护基团；R¹⁰ 代表低级烷基。与传统工艺相比，这种通过中间体（II）进行的工艺具有工业优势，因为可以从廉价的起始原料中以高产率获得最终产品（I），从而显著降低生产成本。
• USE OF RENIN INHIBITORS FOR THE TREATMENT OF GLAUCOMA
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0617622A1

  公开（公告）日：1994-10-05
• [EN] USE OF RENIN INHIBITORS FOR THE TREATMENT OF GLAUCOMA
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：WO1993012796A1

  公开（公告）日：1993-07-08

  (EN) This invention relates to use of a compound of formula (I) wherein each symbol is as defined in the description, or its pharmaceutically acceptable salt, for treating glaucoma or reducing and/or controlling intraocular pressure.(FR) Utilisation d'un composé de la formule (I) dans laquelle chaque symbole est tel que défini dans la description, ou utilisation d'un sel de ce composé pharmaceutiquement acceptable pour le traitement du glaucome ou l'atténuation de la pression intraoculaire.