(3S,4S)-3-tert-Butyldimethyl-silyloxy-4-tert-butoxycarbonylamino-5-cyclohexyl-1-pentene | 104856-10-2

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: (3S,4S)-3-tert-Butyldimethyl-silyloxy-4-tert-butoxycarbonylamino-5-cyclohexyl-1-pentene
• 英文别名: (3S,4S)-3-tert-Butyldimethylsilyloxy-4-tert-butoxycarbonylamino-5-cyclohexyl 1-pentene；tert-butyl N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-4-en-2-yl]carbamate
• CAS: 104856-10-2
• 化学式: C₂₂H₄₃NO₃Si
• 分子量: 397.674
• InChiKey: IQOARKYXGMKFDI-OALUTQOASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.43
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3S,4S)-3-tert-Butyldimethyl-silyloxy-4-tert-butoxycarbonylamino-5-cyclohexyl-1-pentene 以100%的产率得到
  参考文献：
  名称：

  ROSENBERG, SAUL H.;LULY, JAY R.;PLATTNER, JACOB J.

  摘要：

  DOI：
• 作为产物：
  描述：

  咪唑 、 叔丁基二甲基氯硅烷 、 tert-butyl [(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-3-butenyl]carbamate 以 N,N-二甲基甲酰胺 为溶剂， 以0.355 g (96%)的产率得到(3S,4S)-3-tert-Butyldimethyl-silyloxy-4-tert-butoxycarbonylamino-5-cyclohexyl-1-pentene
  参考文献：
  名称：

  Glaucoma treatment

  摘要：

  一种治疗或减少和/或控制眼内压的方法和组合物，包括给予公式的肾素抑制化合物的有效量：其中A是取代基；W是CO或CHOH，U是CH.sub.2或NR.sub.2，其中R.sub.2是氢或低烷基；但有一个条件，当W是CHOH时，U是CH.sub.2；R.sub.1是低烷基、环烷基甲基、苄基、(α，α)-二甲基苄基、4-羟基苄基、4-甲氧基苄基、卤苄基、(1-萘基)甲基、(2-萘基)甲基、1-苄氧基乙基、苯乙基、苯氧基、噻吩氧基或苯胺基；R.sub.3是低烷基、低烯基、((烷氧基)烷氧基)低烷基、(硫烷氧基)烷基、苄基或杂环戒取代甲基；R.sub.4是取代羟基烷基氨基。

  公开号：

  US05036051A1

文献信息

• Heterocyclic renin inhibitors
  申请人：Abbott Laboratories

  公开号：US04994477A1

  公开（公告）日：1991-02-19

  A renin inhibiting compound of the formula: ##STR1## wherein A is a substituent; R.sub.1 is loweralkyl, loweralkenyl, alkoxyalkyl, [(alkoxy)alkoxy]alkyl, alkoxycarbonylalkyl, carboxyalkyl, (thioalkoxy)alkyl, benzyl or heterocyclic ring substituted methyl; R.sub.2 is hydrogen, loweralkyl, cycloalkylmethyl or benzyl; D is a substituent; or pharmaceutically acceptable salts or esters thereof. Also disclosed are renin inhibiting compositions, a method of treating hypertension, methods of making the renin inhibiting compounds and intermediates useful in making the renin inhibiting compounds.

  一种抑制肾素的化合物，其化学式为：##STR1## 其中A是取代基；R.sub.1是较低的烷基、较低的烯基、烷氧基烷基、[(烷氧基)烷氧基]烷基、烷氧羰基烷基、羧基烷基、(硫代烷氧基)烷基、苄基或杂环戒取代的甲基；R.sub.2是氢、较低的烷基、环烷基甲基或苄基；D是取代基；或其药学上可接受的盐或酯。还公开了抑制肾素的组合物、治疗高血压的方法、制备抑制肾素化合物的方法以及制备抑制肾素化合物的中间体。
• Glaucoma treatment
  申请人：Abbott Laboratories

  公开号：US04927807A1

  公开（公告）日：1990-05-22

  A method and a composition for treating or reducing and/or controlling intraocular pressure comprising administering an effective amount of a renin inhibiting compound of the formula: ##STR1## wherein A is a substituent; W is CO or CHOH and U is CH.sub.2 or NR.sub.2 wherein R.sub.2 is hydrogen or loweralkyl; with the proviso that when W is CHOH then U is CH.sub.2 ; R.sub.1 is loweralkyl, cycloalkyl, benzyl, (alpha, alpha)-dimethylbenzyl, 4-hydroxybenzyl, 4-methoxybenzyl, halobenzyl, (1-naphthyl)methyl, (2-naphthyl)methyl, (4-imidazoyl)methyl, phenethyl, 1-benzyloxyethyl, phenoxy, thiophenoxy or anilino; R.sub.3 is loweralkyl, loweralkenyl, ((alkoxy)alkoxy)alkyl, carboxyalkyl, (thioalkoxy)alkyl, benzyl or heterocyclic ring substituted methyl; and R.sub.4 is a substituted amino group; or pharmaceutically acceptable salts or esters thereof. Also disclosed are compositions, methods and kits for treating glaucoma or reducing and/or controlling intraocular pressure wherein the renin inhibiting compound is administered in combination with a beta-adrenergic antagonist, a steroidal antiinflammatory agent or an angiotensin converting enzyme inhibiting compound.

  一种用于治疗或减少和/或控制眼内压的方法和组合物，包括给予有效量的下式化合物的抑制肾素的化合物：##STR1## 其中A是取代基；W是CO或CHOH，U是CH.sub.2或NR.sub.2，其中R.sub.2是氢或较低烷基；但当W是CHOH时，则U为CH.sub.2；R.sub.1是较低烷基，环烷基，苄基，(α，α)-二甲基苄基，4-羟基苄基，4-甲氧基苄基，卤代苄基，(1-萘基)甲基，(2-萘基)甲基，(4-咪唑基)甲基，苯乙基，1-苄氧基乙基，苯氧基，噻吩氧基或苯胺基；R.sub.3是较低烷基，较低烯基，((烷氧基)烷氧基)烷基，羧基烷基，(硫代烷氧基)烷基，苄基或杂环戒取代甲基；R.sub.4是取代氨基；或其药学上可接受的盐或酯。还公开了用于治疗青光眼或减少和/或控制眼内压的组合物、方法和试剂盒，其中抑制肾素的化合物与β-肾上腺素受体拮抗剂、类固醇抗炎药或抑制血管紧张素转换酶的化合物结合给予。
• Functionalized peptidyl aminodiols and -triols
  申请人：Abbott Laboratories

  公开号：US04977277A1

  公开（公告）日：1990-12-11

  The invention relates to renin inhibiting compounds of the formula ##STR1## wherein A is hydrogen; loweralkyl; arylalkyl; OR.sub.8 or SR.sub.8 wherein R.sub.8 is hydrogen, loweralkyl or aminoalkyl; NR.sub.9 R.sub.10 wherein R.sub.9 and R.sub.10 are independently selected from hydrogen, loweralkyl, aminoalkyl, cyanoalkyl and hydroxyalkyl; ##STR2## wherein B is NH, alkylamino, S, O, CH.sub.2 or CHOH and R.sub.11 is loweralkyl, cycloalkyl, aryl, arylalkyl, alkoxy, alkenyloxy, hydroxyalkoxy, dihydroxyalkoxy, arylalkoxy, arylalkoxyalkyl, amino, alkylamino, dialkylamino, (hydroxyalkyl)(alkyl)amino, (dihydroxyalkyl)(alkyl)amino, carboxylic acid-substituted alkyl, alkoxycarbonylalkyl, aminoalkyl, N-protected aminoalkyl, alkylaminoalkyl, dialkylaminoalkyl, (N-protected)-(alkyl)aminoalkyl, (heterocyclic)alkyl or a substituted or unsubstituted heterocyclic; R.sub.1 is loweralkyl, cycloalkylmethyl, benzyl, .alpha.-methylbenzyl, .alpha., .alpha.-dimethylbenzyl, 4-methoxybenzyl, halobenzyl, (1-naphthyl)-methyl, (2-naphthyl)methyl, (4-imidazoyl)methyl, phenethyl, phenoxy, thiophenoxy or anilino; provided if R.sub.1 is phenoxy, thiophenoxy or anilino, B is CH.sub.2 or CHOH or A is hydrogen; R.sub.3 is loweralkyl, benzyl or heterocyclic ring-substituted methyl; R.sub.4 is lower-alkyl, cycloalkyl- methyl or benzyl; R.sub.2, R.sub.5 and R.sub.6 are independently hydrogen or loweralkyl; X is O, NH or S; R.sub.7 is hydrogen, loweralkyl, alkanoyl, alkylsulfonyl ##STR3## wherein R.sub.12 and R.sub.13 are independently hydrogen or loweralkyl, n is 0-2 and R.sub.14 is substituted or unsubstituted phenyl or heterocyclic; or XR.sub.7 together are loweralkylsulfonyl, N.sub.3 or Cl, and pharmaceutically acceptable salts thereof.

  本发明涉及公式##STR1##的肾素抑制化合物，其中A为氢；低烷基；芳基烷基；OR.sub.8或SR.sub.8，其中R.sub.8为氢，低烷基或氨基烷基；NR.sub.9R.sub.10，其中R.sub.9和R.sub.10独立选择自氢，低烷基，氨基烷基，氰基烷基和羟基烷基；##STR2##其中B为NH，烷基氨基，S，O，CH.sub.2或CHOH，R.sub.11为低烷基，环烷基，芳基，芳基烷基，烷氧基，烯烃氧基，羟基烷氧基，二羟基烷氧基，芳基烷氧基，芳基烷氧基烷基，氨基，烷基氨基，二烷基氨基，（羟基烷基）（烷基）氨基，（二羟基烷基）（烷基）氨基，羧酸取代的烷基，烷氧羰基烷基，氨基烷基，N-保护氨基烷基，烷基氨基烷基，二烷基氨基烷基，（N-保护）-（烷基）氨基烷基，（杂环）烷基或取代或未取代的杂环；R.sub.1为低烷基，环烷基甲基，苯甲基，α-甲基苯甲基，α，α-二甲基苯甲基，4-甲氧基苯甲基，卤代苯甲基，（1-萘基）-甲基，（2-萘基）-甲基，（4-咪唑基）-甲基，苯乙基，苯氧基，噻吩氧基或苯胺基；但如果R.sub.1为苯氧基，噻吩氧基或苯胺基，则B为CH.sub.2或CHOH或A为氢；R.sub.3为低烷基，苯甲基或杂环环取代甲基；R.sub.4为低烷基，环烷基甲基或苯甲基；R.sub.2，R.sub.5和R.sub.6独立地为氢或低烷基；X为O，NH或S；R.sub.7为氢，低烷基，烷酰基，烷基磺酰基##STR3##其中R.sub.12和R.sub.13独立地为氢或低烷基，n为0-2，R.sub.14为取代或未取代的苯基或杂环；或XR.sub.7一起为低烷基磺酰基，N.sub.3或Cl，以及其药学上可接受的盐。
• ROSENBERG, SAUL H.;LULY, JAY R.;PLATTNER, JACOB J.
  作者：ROSENBERG, SAUL H.、LULY, JAY R.、PLATTNER, JACOB J.

  DOI：——

  日期：——
• Non-peptide renin inhibitors
  申请人：Abbott Laboratories

  公开号：US05268374A1

  公开（公告）日：1993-12-07

  The present invention relates to renin inhibiting compounds of the formula: ##STR1##

  这项发明涉及公式为的肾素抑制化合物：##STR1##