(R)-alpha-[[(4-nitrophenyl)sulfonyl]oxy]-4-methylvaleric acid | 161313-34-4

• 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: (R)-alpha-[[(4-nitrophenyl)sulfonyl]oxy]-4-methylvaleric acid
• 英文别名: (2R)-4-methyl-2-(4-nitrophenyl)sulfonyloxypentanoic acid
• CAS: 161313-34-4
• 化学式: C₁₂H₁₅NO₇S
• 分子量: 317.32
• InChiKey: HVOULRCKDPUQJV-LLVKDONJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  135
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-(S)-[(1-(S)-benzyloxycarbonyl-3-methylbutyl)amino]-5-(p-isopropylbenzyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine 、 D-亮氨酸 在 钯 盐酸 、 sodium nitrite 作用下， 以 1,4-二氧六环 、 正己烷 、 硫酸 、 水 、 乙酸乙酯 为溶剂， 生成 (R)-alpha-[[(4-nitrophenyl)sulfonyl]oxy]-4-methylvaleric acid
  参考文献：
  名称：

  Benzazepinone derivatives

  摘要：

  本发明涉及通式##STR1##中的替代3-氨基-1-芳基烷基-苯并[2,3-d]蒽-2-酮，其中Ar为芳基；X为--O--或--S(O).sub.n--，n为0、1或2；X.sub.1为C.sub.1-C.sub.2烷基或直接键；R.sub.1为氢、较低烷基、芳基-较低烷基或酰基；R.sub.2为较低烷基、羟基-较低烷基、较低烷氧基-较低烷基、芳基-较低烷氧基-较低烷基、芳基-较低烷基或C.sub.3-C.sub.7环烷基-较低烷基；R.sub.3为羧基；较低烷氧羰基；较低烷氧-较低烷氧羰基；芳基-较低烷氧羰基；芳氧羰基；氨基；氨基，其(i)被羟基、较低烷磺酰基、卤代较低烷磺酰基或芳基磺酰基单取代，(ii)被较低烷基、较低烯基、较低炔基或苯基-较低烷基单取代或双取代，取代基相互独立，或(iii)被较低烷基二取代或较低烷基-Z.sub.1-较低烷基二取代，Z.sub.1为O、S或NH；5-四唑基；PO.sub.2H.sub.2；PO.sub.3H.sub.2或SO.sub.3H.sub.2；环A和芳基分别独立地未取代或单取代或多取代，取代基选自：较低烷基、芳基-较低烷基、较低烷氧基-较低烷基、较低烷氧基、较低烷氧-较低烷氧、芳基-较低烷氧、C.sub.3-C.sub.7环烷基、C.sub.3-C.sub.7环烷基-较低烷基、硝基、卤素、三氟甲基、氨基和氨基，氨基被较低烷基、芳基-较低烷基或芳基单取代或双取代，取代基相互独立，或被较低烷基或较低烷氧基-较低烷基双取代；或其盐；以及其制备方法；以及其用途，以及包含通式(I)化合物或其药学上可接受的盐的药物组合物。

  公开号：

  US05610153A1

文献信息

• BENZAZEPINON-DERIVATE
  申请人：CIBA-GEIGY AG

  公开号：EP0673371A1

  公开（公告）日：1995-09-27
• US5610153A
  申请人：——

  公开号：US5610153A

  公开（公告）日：1997-03-11
• [DE] BENZAZEPINON-DERIVATE<br/>[EN] BENZAZEPINONE DERIVATIVES<br/>[FR] DERIVES DE BENZAZEPINONE
  申请人：——

  公开号：WO1994013651A1

  公开（公告）日：1994-06-23

  [EN] The invention concerns substituted 3-amino-1-arylalkylbenzazepin-2-ones of general formula (I), in which Ar is aryl; X is -O- or -S(O)n- and n is 0, 1 or 2; X1 is C1-C2 alkylene or a single bond; R1 is hydrogen, lower alkyl, aryl(lower alkyl) or acyl; R2 is lower alkyl, hydroxy(lower alkyl), (lower alkoxy)(lower alkyl), aryl(lower alkoxy)(lower alkyl), aryl(lower alkyl) or (C3-C7 cycloalkyl)(lower alkyl); R3 is a carboxylic group, (lower alkoxy)carbonyl, (lower alkoxy)(lower alkoxy)carbonyl, aryl(lower alkoxy)carbonyl, aryloxycarbonyl, carbamoyl, carbamoyl which is (i) mono-substituted by hydroxy, (lower alkyl)sulphonyl, halo(lower alkyl)sulphonyl or arylsulphonyl, (ii) mono-substituted or independently disubstituted by lower alkyl, lower alkenyl, lower alkinyl or phenyl(lower alkyl) or (iii) disubstituted by lower alkylene or (lower alkylene)-Z1-(lower alkylene), Z1 being O, S or NH; 5-tetrazolyl; PO2H2; PO3H2 or SO3H2; the ring A or aromatic groups, independently of each other, are unsubstituted or singly or multiply substituted by substituents selected from the group comprising lower alkyl, aryl(lower alkyl), (lower alkoxy)(lower alkyl), lower alkoxy, (lower alkoxy)(lower alkoxy), aryl(lower alkoxy), C3-C7 cycloalkyl, (C3-C7 cycloalkyl)(lower alkyl), nitro, halogen, trifluoromethyl, amino or amino which is mono-substituted or independently disubstituted by lower alkyl, aryl(lower alkyl) or aryl or disubstituted by lower alkylene or (lower alkylene)-oxy-(lower alkylene); or a salt thereof. The invention also concerns methods of preparing these compounds, their use, and pharmaceutical preparations containing compounds of formula (I) or pharmaceutically usable salts thereof.
  [FR] L'invention concerne des 3-amino-1-arylalkyl-benzazépine-2-ones substituées de la formule générale (I), dans laquelle Ar désigne aryle; X désigne -O- ou -S(O)n- et n vaut 0, 1 ou 2; X1 désigne alkylène C1-C2 ou représente une liaison directe; R1 désigne hydrogène, alkyle inférieur, aryle-alkyle inférieur ou acyle; R2 désigne alkyle inférieur, alkyle inférieur d'hydroxy, alkyle inférieur d'alcoxy inférieur d'aryle, aryle-alkyle inférieur ou cycloalkyle C3-C7-alkyle inférieur; R3 désigne carboxy; carbonyle d'alcoxy inférieur; alcoxy inférieur-carbonyle d'alcoxy inférieur; carbonyle d'alcoxy inférieur d'aryle; carbonyle d'aryle; carbamoyle; carbamoyle qui est monosubstitué (i) par hydroxy, sulfonyle d'alcane inférieur, sulfonyle d'alcane inférieur d'halogène ou sulfonyle d'aryle, (ii) par alkyle inférieur, alcényle inférieur, alcinyle inférieur, alkyle inférieur de phényle ou bien qui est disubstitué indépendamment des uns et des autres ou (iii) qui est disubstitué par alkylène inférieur ou alkylène inférieur Z1-alkylène inférieur, Z1 désignant O, S ou NH; 5-tétrazolyle; PO2H2; PO3H2 ou SO3H2; le composé cyclique A ou des restes aromatiques, indépendamment les uns des autres sont non substitués ou sont substitués une ou plusieurs fois par des substituants choisis dans le groupe comprenant: alkyle inférieur, alkyle inférieur d'aryle, alcoxy inférieur-alkyle inférieur, alcoxy inférieur, alcoxy inférieur-alcoxy inférieur, alcoxy inférieur d'aryle, cycloalkyle C3-C7, cycloalkyle C3-C7-alkyle inférieur, nitro, halogène, trifluorométhyle, amino, amino monosubstitué ou disubstitué indépendamment des uns et des autres par alkyle inférieur, alkyle inférieur d'aryle ou aryle ou disubstitué par alkylène inférieur, alkylène inférieur d'alkylénoxy inférieur; ou un de leurs sels. L'invention concerne également un procédé permettant de les préparer, leur utilisation ainsi que des préparations pharmaceutiques qui contiennent des composés de la formule (I) ou des sels desdits composés utilisables sur le plan pharmaceutique.
• Benzazepinone derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US05610153A1

  公开（公告）日：1997-03-11

  The invention relates to substituted 3-amino-1-arylalkyl-benzazepin-2-ones of the general formula ##STR1## wherein Ar is aryl; X is --O-- or --S(O).sub.n -- and n is 0, 1 or 2; X.sub.1 is C.sub.1 -C.sub.2 alkylene or a direct bond; R.sub.1 is hydrogen, lower alkyl, aryl-lower alkyl or acyl; R.sub.2 is lower alkyl, hydroxy-lower alkyl, lower alkoxy-lower alkyl, aryl-lower alkoxy-lower alkyl, aryl-lower alkyl or C.sub.3 -C.sub.7 cycloalkyl-lower alkyl; R.sub.3 is carboxy; lower alkoxycarbonyl; lower alkoxy-lower alkoxycarbonyl; aryl-lower alkoxycarbonyl; aryloxycarbonyl; carbamoyl; carbamoyl that (i) is monosubstituted by hydroxy, lower alkanesulfonyl, halo-lower alkanesulfonyl or by arylsulfonyl, (ii) is monosubstituted or disubstituted, the substituents being independent of one another, by lower alkyl, lower alkenyl, lower alkynyl or by phenyl-lower alkyl or (iii) is disubstituted by lower alkylene or by lower alkylene-Z.sub.1 -lower alkylene, Z.sub.1 being O, S or NH; 5-tetrazolyl; PO.sub.2 H.sub.2 ; PO.sub.3 H.sub.2 or SO.sub.3 H.sub.2 ; the ring A and aromatic radicals are, independently of one another, unsubstituted or mono- or poly-substituted by substituents selected from the group consisting of: lower alkyl, aryl-lower alkyl, lower alkoxy-lower alkyl, lower alkoxy, lower alkoxy-lower alkoxy, aryl-lower alkoxy, C.sub.3 -C.sub.7 cycloalkyl, C.sub.3 -C.sub.7 cycloalkyl-lower alkyl, nitro, halogen, trifluoromethyl, amino and amino that is monosubstituted or disubstituted, the substituents being independent of one another, by lower alkyl, aryl-lower alkyl or by aryl, or disubstituted by lower alkylene or by lower alkyleneoxy-lower alkylene; or a salt thereof; to processes for the preparation thereof; and to the use thereof as well as to pharmaceutical compositions that comprise compounds of formula (I) or pharmaceutically acceptable salts thereof.

  本发明涉及通式##STR1##中的替代3-氨基-1-芳基烷基-苯并[2,3-d]蒽-2-酮，其中Ar为芳基；X为--O--或--S(O).sub.n--，n为0、1或2；X.sub.1为C.sub.1-C.sub.2烷基或直接键；R.sub.1为氢、较低烷基、芳基-较低烷基或酰基；R.sub.2为较低烷基、羟基-较低烷基、较低烷氧基-较低烷基、芳基-较低烷氧基-较低烷基、芳基-较低烷基或C.sub.3-C.sub.7环烷基-较低烷基；R.sub.3为羧基；较低烷氧羰基；较低烷氧-较低烷氧羰基；芳基-较低烷氧羰基；芳氧羰基；氨基；氨基，其(i)被羟基、较低烷磺酰基、卤代较低烷磺酰基或芳基磺酰基单取代，(ii)被较低烷基、较低烯基、较低炔基或苯基-较低烷基单取代或双取代，取代基相互独立，或(iii)被较低烷基二取代或较低烷基-Z.sub.1-较低烷基二取代，Z.sub.1为O、S或NH；5-四唑基；PO.sub.2H.sub.2；PO.sub.3H.sub.2或SO.sub.3H.sub.2；环A和芳基分别独立地未取代或单取代或多取代，取代基选自：较低烷基、芳基-较低烷基、较低烷氧基-较低烷基、较低烷氧基、较低烷氧-较低烷氧、芳基-较低烷氧、C.sub.3-C.sub.7环烷基、C.sub.3-C.sub.7环烷基-较低烷基、硝基、卤素、三氟甲基、氨基和氨基，氨基被较低烷基、芳基-较低烷基或芳基单取代或双取代，取代基相互独立，或被较低烷基或较低烷氧基-较低烷基双取代；或其盐；以及其制备方法；以及其用途，以及包含通式(I)化合物或其药学上可接受的盐的药物组合物。