(2R,3S)-N-[(tert-Butyloxy)carbonyl]-3-amino-2-acetoxy-4-phenylbutanal | 99113-31-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2R,3S)-N-[(tert-Butyloxy)carbonyl]-3-amino-2-acetoxy-4-phenylbutanal
• 英文别名: (2R,3S)-N-(tert-Butyloxy)carbonyl-3-amino-2-acetoxy-4-phenylbutanal；[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-4-phenylbutan-2-yl] acetate
• CAS: 99113-31-2
• 化学式: C₁₇H₂₃NO₅
• 分子量: 321.373
• InChiKey: LHQVRCNKIKXXHV-GJZGRUSLSA-N

物化性质

• 沸点：
  469.6±45.0 °C(Predicted)
• 密度：
  1.128±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2R,3S)-N-[(tert-Butyloxy)carbonyl]-3-amino-2-acetoxy-4-phenylbutanal 生成 (2S,3R,4S)-2-<(tert-butoxycarbonyl)amino>-1-phenyl-3,4-dihydroxy-6-methylheptane
  参考文献：
  名称：

  HANSON, GUNNAR J.;BARAN, JOHN S.

  摘要：

  DOI：
• 作为产物：
  描述：

  (3S,4S)-N-[(tert-Butyloxy)carbonyl]-4-amino-3-acetoxy-5-phenylpentene 在 臭氧 、 三苯基膦 作用下， 生成 (2R,3S)-N-[(tert-Butyloxy)carbonyl]-3-amino-2-acetoxy-4-phenylbutanal
  参考文献：
  名称：

  （E）-烯烃二肽等排体的合成

  摘要：

  报道了合成（E）-烯烃二肽等排体的途径。关键步骤涉及衍生自商业氨基酸的烯丙醇的原酸酯克莱森重排。从醇中心向新形成的碳-碳键的手性转移为立体异构体的C末端天冬氨酸“侧链”提供了立体控制的引入。

  DOI：

  10.1016/0040-4039(94)88055-7

文献信息

• Piperidinyl-terminated alkylamino ethynyl alanine amino diol compounds
  申请人：G. D. Searle & Co.

  公开号：US05212185A1

  公开（公告）日：1993-05-18

  Compounds characterized generally as piperidinyl-terminated alkylamino ethynyl alanine amino diol derivatives are useful as renin inhibitors for the treatment of hypertension. Compounds of particular interest are those of Formula I ##STR1## wherein A is selected from CO and SO.sub.2 ; wherein X is selected from oxygen atom and methylene; wherein B is selected from a piperidinyl group, an isoindolyl group and an azabicyclononyl group; wherein R.sub.1 is selected from hydrido, methyl, ethyl, isopropyl and n-propyl; wherein R.sub.2 is phenylmethyl; wherein each of R.sub.3 and R.sub.5 is hydrido; wherein R.sub.4 is selected from ##STR2## wherein V is selected from hydrido and methyl; wherein R.sub.6 is cyclohexylmethyl; wherein R.sub.7 is selected from isobutyl, cyclopropyl and cyclopropylmethyl; wherein q is a number selected from zero through three, inclusive; and wherein n is a number selected from zero through three, inclusive; or a pharmaceutically-acceptable salt thereof.

  以哌啶基终止的烷基氨基乙炔丙氨酸氨基二醇衍生物通常被用作肾素抑制剂，用于治疗高血压。特别感兴趣的化合物是符合以下式I的化合物：其中A从CO和SO.sub.2中选择；其中X从氧原子和亚甲基中选择；其中B从哌啶基、异吲哚基和氮杂环壬基中选择；其中R.sub.1从氢、甲基、乙基、异丙基和正丙基中选择；其中R.sub.2是苯甲基；其中R.sub.3和R.sub.5中的每一个都是氢；其中R.sub.4从中选择##STR2##其中V从氢和甲基中选择；其中R.sub.6是环己甲基；其中R.sub.7从异丁基、环丙基和环丙甲基中选择；其中q是从零到三的数字；n是从零到三的数字；或其药用盐。
• .alpha.-aminoacyl .beta.-aminoacyl aminodiols as anti-hypertensive agents
  申请人：G. D. Searle & Co.

  公开号：US04931429A1

  公开（公告）日：1990-06-05

  Compounds characterized generally as .alpha.-aminoacyl .beta.-aminoactyl aminodiols are useful as renin inhibitors for the treatment of hypertension.

  通常被描述为α-氨基酰β-氨基乙酰氨基二醇的化合物可用作治疗高血压的肾素抑制剂。
• Aminoalkylaminocarbonyl aminodiol amino acid derivatives as
  申请人：G. D. Searle & Co.

  公开号：US04902706A1

  公开（公告）日：1990-02-20

  Non-peptidyl compounds characterized generally as aminoalkylaminocarbonyl aminodiol derivatives of amino acids are useful as renin inhibitors for the treatment of hypertension.

  非肽类化合物通常被描述为氨基酸的氨基烷基氨基甲酰胺二醇衍生物，可用于治疗高血压的肾素抑制剂。
• Imidazolyl/benzimidazolyl-terminated alkylamino ethynyl alanine amino
  申请人：G. D. Searle & Co.

  公开号：US05373017A1

  公开（公告）日：1994-12-13

  Compounds characterized generally as imidazolyl/benzimidazolyl-terminated alkylamino ethynyl alanine amino diol derivatives are useful as renin inhibitors for the treatment of hypertension. Compounds of particular interest are those of Formula I ##STR1## wherein A is selected from CO and SO.sub.2 ; wherein X is selected from oxygen atom and methylene; wherein B is selected from imidazolyl and benzimidazolyl groups; wherein R.sub.1 is selected from hydrido, methyl, ethyl, isopropyl and n-propyl; wherein R.sub.2 is phenylmethyl; wherein each of R.sub.3 and R.sub.5 is hydrido; wherein R.sub.4 is selected from ##STR2## wherein V is selected from hydrido and methyl; wherein R.sub.6 is cyclohexylmethyl; wherein R.sub.7 is selected from isobutyl, cyclopropyl and cyclopropylmethyl; wherein q is a number selected from zero through three, inclusive; and wherein n is a number selected from zero through three, inclusive; or a pharmaceutically-acceptable salt thereof.

  通常被描述为咪唑基/苯并咪唑基末端的烷基氨基乙炔基丙氨酸氨基二醇衍生物化合物，可用作肾素抑制剂治疗高血压。特别感兴趣的化合物是公式I中的化合物：其中A从CO和SO.sub.2中选择；其中X从氧原子和亚甲基中选择；其中B从咪唑基和苯并咪唑基群中选择；其中R.sub.1从氢、甲基、乙基、异丙基和正丙基中选择；其中R.sub.2是苯甲基；其中R.sub.3和R.sub.5中的每一个都是氢；其中R.sub.4从##STR2##中选择；其中V从氢和甲基中选择；其中R.sub.6是环己基甲基；其中R.sub.7从异丁基、环丙基和环丙基甲基中选择；其中q是从零到三的数字，包括零和三；其中n是从零到三的数字，包括零和三；或其药学上可接受的盐。
• Ethynyl alanine amino diol compounds having a piperazinyl-terminated
  申请人：G. D. Searle & Co.

  公开号：US05298505A1

  公开（公告）日：1994-03-29

  Compounds characterized generally as ethynyl alanine amino diol compounds having a piperazinyl-terminated or a piperazinyl-alkylamino-terminated group and derivatives thereof are useful as renin inhibitors for the treatment of hypertension. Compounds of particular interest are those of Formula I ##STR1## wherein A is selected from CO and SO.sub.2 ; wherein X is selected from oxygen atom and methylene; wherein G is a piperazinyl group or is a piperazinyl-containing group of Formula II: ##STR2## wherein B is a piperazinyl group or a alkylene-bridged-piperazinyl group; wherein R.sub.1 is selected from hydrido, methyl, ethyl, isopropyl and n-propyl; wherein R.sub.2 is phenylmethyl; wherein each of R.sub.3 and R.sub.5 is hydrido; wherein R.sub.4 is selected from ##STR3## wherein V is selected from hydrido and methyl; wherein R.sub.6 is cyclohexylmethyl; wherein R.sub.7 is selected from isobutyl, cyclopropyl and cyclopropylmethyl; wherein q is a number selected from zero through three, inclusive; and wherein n is a number selected from zero through three, inclusive; or a pharmaceutically-acceptable salt thereof.

  通常被描述为乙炔基丙氨酸氨基二醇化合物的化合物具有以哌嗪基结束或哌嗪基-烷基氨基结束的基团和其衍生物，可用作治疗高血压的肾素抑制剂。特别感兴趣的化合物是式I的化合物：其中A从CO和SO.sub.2中选择；其中X从氧原子和亚甲基中选择；其中G是哌嗪基或式II的含哌嗪基的基团：其中B是哌嗪基或烷基桥联哌嗪基团；其中R.sub.1从氢、甲基、乙基、异丙基和正丙基中选择；其中R.sub.2是苯甲基；其中R.sub.3和R.sub.5中的每一个都是氢；其中R.sub.4从##STR3##中选择；其中V从氢和甲基中选择；其中R.sub.6是环己基甲基；其中R.sub.7从异丁基、环丙基和环丙基甲基中选择；其中q是从零到三的数字，包括零和三；其中n是从零到三的数字，包括零和三；或其药学上可接受的盐。