(2S,4S,5S)-5-{N-[2(R)-(1-Naphthylmethyl)-3-(morpholinocarbonyl)propionyl]-3-(4-thiazolyl)-L-alanyl}amino-4-hydroxy-2-(1-hydroxy-1-methylethyl)-7-methyl-N-methyloctanamide | 125015-83-0

• 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,4S,5S)-5-{N-[2(R)-(1-Naphthylmethyl)-3-(morpholinocarbonyl)propionyl]-3-(4-thiazolyl)-L-alanyl}amino-4-hydroxy-2-(1-hydroxy-1-methylethyl)-7-methyl-N-methyloctanamide
• 英文别名: (2S, 4S, 5S)-5-{N-[2(R)-(1-Naphthylmethyl)-3-(morpholinocarbonyl)propionyl]-3-(4-thiazolyl)-L-alanyl}amino-4-hydroxy-2-(1-hydroxy-1-methylethyl)-7-methyl-N-methyloctanamide；(2S,4S,5S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-N,7-dimethyl-5-[[(2S)-2-[[(2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]-3-(1,3-thiazol-4-yl)propanoyl]amino]octanamide
• CAS: 125015-83-0
• 化学式: C₃₈H₅₃N₅O₇S
• 分子量: 723.934
• InChiKey: OHZAAAIPFRENRR-CKWNSANZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  51
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  198
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  、 、 5-[N-(t-butoxycarbonyl)-3-(4-thiazolyl)-L-alanyl]amino-4-hydroxy-2-(1-hydroxy-1-methylethyl)-7-methyl-N-methyl octanamide 、 (2R)-3-(Morpholinocarbonyl)-2-(1-naphthylmethyl)-propionic acid 、 氰基磷酸二乙酯 、 三乙胺 以to obtain 205 mg (yield 94%) of the title compound as a white amorphous substance的产率得到(2S,4S,5S)-5-{N-[2(R)-(1-Naphthylmethyl)-3-(morpholinocarbonyl)propionyl]-3-(4-thiazolyl)-L-alanyl}amino-4-hydroxy-2-(1-hydroxy-1-methylethyl)-7-methyl-N-methyloctanamide
  参考文献：
  名称：

  Renin-inhibitory oligopeptides, their preparation and use

  摘要：

  化合物的式子(I): ##STR1## A是碳-碳键或C.sub.1-C.sub.3烷基; B是亚胺基或C.sub.1-C.sub.2烷基; R.sup.1是C.sub.1-C.sub.4烷基，C.sub.1-C.sub.4烷氧基，杂环或可选择取代的氨基; R.sup.2是可选择取代的苯基或可选择取代的萘基; R.sup.3是噻唑基，异恶唑基或咪唑基; R.sup.4是异丙基或环己基; R.sup.5和R.sup.6是C.sub.1-C.sub.4烷基，或与它们连接的碳原子一起，C.sub.3-C.sub.7环烷基; R.sup.7是氢，可选择取代的C.sub.1-C.sub.6烷基; R.sup.8是氢或C.sub.1-C.sub.4烷基。这些化合物具有肾素抑制和因此降压的活性。该发明还提供了一种治疗或预防由于肾素-血管紧张素系统失调引起的高血压的方法。

  公开号：

  US05364844A1

文献信息

• Renin-inhibitory oligopeptides, their preparation and use
  申请人：Sankyo Company, Limited

  公开号：US05364844A1

  公开（公告）日：1994-11-15

  Compounds of formula (I): ##STR1## A is a carbon-carbon bond or C.sub.1 -C.sub.3 alkylene; B is imino group or C.sub.1 -C.sub.2 alkylene; R.sup.1 is C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, heterocyclic or optionally substituted amino; R.sup.2 is optionally substituted phenyl or optionally substituted naphthyl; R.sup.3 is thiazolyl, isoxazolyl or imidazolyl; R.sup.4 is isopropyl or cyclohexyl; R.sup.5 and R.sup.6 are C.sub.1 -C.sub.4 alkyl, or, together with the carbon atom to which they are attached, C.sub.3 -C.sub.7 cycloalkyl; R.sup.7 is hydrogen, optionally substituted C.sub.1 -C.sub.6 alkyl group; and R.sup.8 is hydrogen or C.sub.1 -C.sub.4 alkyl. These compounds have renin-inhibitory and, hence, hypotensive activities. The invention also provides a method for the treatment or prophylaxis of hypertension induced by failures in the renin-angiotensin system.

  化合物的式子(I): ##STR1## A是碳-碳键或C.sub.1-C.sub.3烷基; B是亚胺基或C.sub.1-C.sub.2烷基; R.sup.1是C.sub.1-C.sub.4烷基，C.sub.1-C.sub.4烷氧基，杂环或可选择取代的氨基; R.sup.2是可选择取代的苯基或可选择取代的萘基; R.sup.3是噻唑基，异恶唑基或咪唑基; R.sup.4是异丙基或环己基; R.sup.5和R.sup.6是C.sub.1-C.sub.4烷基，或与它们连接的碳原子一起，C.sub.3-C.sub.7环烷基; R.sup.7是氢，可选择取代的C.sub.1-C.sub.6烷基; R.sup.8是氢或C.sub.1-C.sub.4烷基。这些化合物具有肾素抑制和因此降压的活性。该发明还提供了一种治疗或预防由于肾素-血管紧张素系统失调引起的高血压的方法。