(3S)-3-amino-2-hydroxy-5-methylhexanoic Acid Hydrochloride | 341973-07-7

• 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: (3S)-3-amino-2-hydroxy-5-methylhexanoic Acid Hydrochloride
• 英文别名: (3S)-3-amino-2-hydroxy-5-methylhexanoic acid;hydrochloride
• CAS: 341973-07-7
• 化学式: C₇H₁₅NO₃*ClH
• 分子量: 197.662
• InChiKey: GDIPITMTJLOTPN-GNVLWMSISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.23
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  83.6
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3S)-3-amino-2-hydroxy-5-methylhexanoic Acid Hydrochloride 在 氯化亚砜 作用下， 以 甲醇 为溶剂， 生成 (3S)-3-amino-2-hydroxy-5-methylhexanoic Acid Methyl Ester Hydrochloride
  参考文献：
  名称：

  1,3,4-Oxadiazoline derivatives and drugs containing these derivatives as active ingredient

  摘要：

  公式（I）的1,3,4-噁二唑啉衍生物，其中W为氧、硫；R为氢、烷基、环烷A等；AA1为单键、氨基酸残基等；AA2为单键、氨基酸残基等；R7和R8为氢、烷基等；R9为氢、烷基等，以及其非毒性盐。 公式（I）的化合物对半胱氨酸蛋白酶具有抑制活性，因此可用作预防和/或治疗炎症性疾病、凋亡诱导的疾病、免疫反应紊乱引起的疾病、自身免疫疾病、由组成生物体的蛋白质分解引起的疾病、休克、循环系统紊乱、血液凝固系统紊乱、恶性肿瘤、获得性免疫缺陷综合症（AIDS）和AIDS相关综合症（ARC）、寄生虫病、神经退行性疾病、肺部疾病、骨吸收疾病、内分泌亢进等方面具有用途。

  公开号：

  US20030166574A1
• 作为产物：
  描述：

  N-叔丁氧羰基-L-亮氨醇 在 盐酸 、 三氧化硫吡啶 、 三乙胺 作用下， 以 二甲基亚砜 、 苯 为溶剂， 反应 29.33h， 生成 (3S)-3-amino-2-hydroxy-5-methylhexanoic Acid Hydrochloride
  参考文献：
  名称：

  源自血管紧张素原过渡态的口服有效人肾素抑制剂：设计，合成和相互作用方式。

  摘要：

  为了合理设计有效的人肾素抑制剂，推导了人肾素复合物和血管紧张素原P1'Val的易裂位点P4 Pro的三维结构。基于这种结构，从血管紧张素原过渡态设计并合成了一种口服有效的人肾素抑制剂（1a）。抑制剂1a包含一个（2R）-3-（吗啉代羰基）-2-（1-萘基甲基）丙酰基残基（P4-P3），具有逆反酰胺键，L-组氨酸和一个新氨基酸（2R， 3S）-3-氨基-4-环己基-2-羟基丁酸，称为环己基去甲他汀（2a）。由Boc-L-环己基丙氨酸（3）有效地制备了光学纯的环己基去甲他汀，并通过X射线晶体分析确定了1a的立体化学。使用建模技术分析1a与人肾素之间的相互作用表明：（1）P1的环己基和P3的萘基分别容纳在较大的疏水性亚位点S1和S3中；（2）将P2 His的咪唑氢键合到Ser-233的侧链OH上，有助于抑制肾素。（3）将环己基去甲他汀异丙酯残基容纳在S1-S1'中。清楚地表明了立体化学在有效和特

  DOI：

  10.1021/jm00172a005

文献信息

• 1,3,4-Oxadiazoline derivatives and drugs containing these derivatives as active ingredient
  申请人：——

  公开号：US20030166574A1

  公开（公告）日：2003-09-04

  A 1,3,4-oxadiazoline derivative of formula (I) 1 , wherein W is oxygen, sulfer; R is hydrogen, alkyl, CycA, etc.; AA 1 is a single bond, amino acid residue, etc.; AA 2 is a single bond, amino acid residue, etc.; R 7 and R 8 are hydrogen, alkyl, etc.; R 9 is hydrogen, alkyl, etc., and a non-toxic salt thereof. The compound of formula (I) has an inhibitory activity against cysteine protease and therefore it is useful as an agent for the prophylaxis and/or treatment of inflammatory diseases, diseases induced by apoptosis, diseases induced by disorders of immune responses, autoimmune diseases, diseases induced by decomposition of proteins which compose organism, shock, circulatory system disorders, blood coagulation systems disorders, malignant tumors, acquired immune deficiency syndrome (AIDS) and AIDS-related complex (ARC), parasitic diseases, nerve degeneration diseases, pulmonary disorders, bone resorption diseases, endocrinesthenia, etc.

  公式（I）的1,3,4-噁二唑啉衍生物，其中W为氧、硫；R为氢、烷基、环烷A等；AA1为单键、氨基酸残基等；AA2为单键、氨基酸残基等；R7和R8为氢、烷基等；R9为氢、烷基等，以及其非毒性盐。 公式（I）的化合物对半胱氨酸蛋白酶具有抑制活性，因此可用作预防和/或治疗炎症性疾病、凋亡诱导的疾病、免疫反应紊乱引起的疾病、自身免疫疾病、由组成生物体的蛋白质分解引起的疾病、休克、循环系统紊乱、血液凝固系统紊乱、恶性肿瘤、获得性免疫缺陷综合症（AIDS）和AIDS相关综合症（ARC）、寄生虫病、神经退行性疾病、肺部疾病、骨吸收疾病、内分泌亢进等方面具有用途。
• Oxadiazole derivative compounds and drugs containing these compounds as the active ingredient
  申请人：——

  公开号：US20040204368A1

  公开（公告）日：2004-10-14

  An oxadiazole derivative of formula (I) and a non-toxic salt thereof, 1 wherein all symbols have the same meaning as described in the specification. The compound of formula (I) has an inhibitory activity against cysteine protease and therefore it is useful as an agent for the prophylaxis and/or treatment of inflammatory diseases, diseases induced by apoptosis, diseases induced by disorders of immune responses, autoimmune diseases, diseases induced by decomposition of proteins which compose organism, shock, circulatory system disorders, blood coagulation system(s) disorders, malignant tumors, acquired immune deficiency syndrome (AIDS) and AIDS-related complex (ARC), parasitic diseases, nerve degeneration diseases, pulmonary disorders, bone resorption diseases, endocrinesthenia, etc.

  公式（I）的一种噁二唑衍生物及其非毒性盐， 其中所有符号的含义与规范中描述的相同。公式（I）的化合物具有对半胱氨酸蛋白酶的抑制活性，因此它可用作预防和/或治疗炎症性疾病、由细胞凋亡引起的疾病、由免疫反应紊乱引起的疾病、自身免疫疾病、由构成生物体的蛋白质分解引起的疾病、休克、循环系统紊乱、血液凝固系统紊乱、恶性肿瘤、获得性免疫缺陷综合症（AIDS）和AIDS相关综合症（ARC）、寄生虫病、神经退行性疾病、肺部疾病、骨吸收疾病、内分泌亢进等方面的药剂。
• Diketohydrazine derivative compounds and drugs contaiing the compounds as the active ingredient
  申请人：Hatayama Akira

  公开号：US20060111303A1

  公开（公告）日：2006-05-25

  The present invention relates to a diketohydrazine derivative of formula (I) and a pharmaceutically acceptable salt thereof (the symbols in the formula have the same meaning as described in the specification). The compound of formula (I) has an inhibitory activity against cysteine protease, and it is useful for the treatment of inflammatory diseases, immune diseases, ischemic diseases, respiratory diseases, circulatory diseases, blood diseases, neuronal diseases, hepatic or biliary diseases, osseous or articular diseases, metabolic diseases, etc. And the compound has inhibitory activity against elastase and it is also useful for the treatment of COPD (chronic obstacle pulmonary diseases).

  本发明涉及一种公式（I）的二酮肼衍生物及其药学上可接受的盐（公式中的符号与说明书中描述的含义相同）。公式（I）的化合物具有对半胱氨酸蛋白酶的抑制活性，可用于治疗炎症性疾病、免疫性疾病、缺血性疾病、呼吸系统疾病、循环系统疾病、血液疾病、神经系统疾病、肝胆系统疾病、骨骼或关节疾病、代谢性疾病等。该化合物具有对弹性蛋白酶的抑制活性，也可用于慢性阻塞性肺疾病（COPD）的治疗。
• DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT
  申请人：Hatayama Akira

  公开号：US20100087442A1

  公开（公告）日：2010-04-08

  The present invention relates to a diketohydrazine derivative of formula (I) and a pharmaceutically acceptable salt thereof (the symbols in the formula have the same meaning as described in the specification). The compound of formula (I) has an inhibitory activity against cysteine protease, and it is useful for the treatment of inflammatory diseases, immune diseases, ischemic diseases, respiratory diseases, circulatory diseases, blood diseases, neuronal diseases, hepatic or biliary diseases, osseous or articular diseases, metabolic diseases, etc. And the compound has inhibitory activity against elastase and it is also useful for the treatment of COPD (chronic obstacle pulmonary diseases).

  本发明涉及式(I)的二酮肼衍生物及其药学上可接受的盐（式中符号与说明书中描述的含义相同）。式(I)化合物具有对半胱氨酸蛋白酶的抑制活性，可用于治疗炎症性疾病、免疫性疾病、缺血性疾病、呼吸系统疾病、循环系统疾病、血液疾病、神经系统疾病、肝胆系统疾病、骨骼或关节疾病、代谢性疾病等。该化合物具有对弹性蛋白酶的抑制活性，也可用于治疗慢性阻塞性肺部疾病（COPD）。
• 1,3,4-OXADIAZOLINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1234821A1

  公开（公告）日：2002-08-28

  A 1,3,4-oxadiazoline derivative of formula (I) ,wherein W is oxygen, sulfer ;R is hydrogen, alkyl, CycA, etc.; AA1 is a single bond, amino acid residue, etc.; AA2 is a single bond, amino acid residue, etc.; R7 and R8 are hydrogen, alkyl, etc.; R9 is hydrogen, alkyl, etc., and a non-toxic salt thereof. The compound of formula (I) has an inhibitory activity against cysteine protease and therefore it is useful as an agent for the prophylaxis and/or treatment of inflammatory diseases, diseases induced by apoptosis, diseases induced by disorders of immune responses, autoimmune diseases, diseases induced by decomposition of proteins which compose organism, shock, circulatory system disorders, blood coagulation systems disorders, malignant tumors, acquired immune deficiency syndrome (AIDS) and AIDS-related complex (ARC), parasitic diseases, nerve degeneration diseases, pulmonary disorders, bone resorption diseases, endocrinesthenia, etc.

  一种式（I）的 1，3，4-噁二唑啉衍生物 其中 W 是氧、砜；R 是氢、烷基、CycA 等；AA1 是单键、氨基酸残基等；AA2 是单键、氨基酸残基等；R7 和 R8 是氢、烷基等；R9 是氢、烷基等，及其无毒盐。 式（I）化合物对半胱氨酸蛋白酶具有抑制活性，因此可用作预防和/或治疗炎症性疾病、由细胞凋亡诱发的疾病、由免疫反应紊乱诱发的疾病、自身免疫性疾病、组成机体的蛋白质分解引起的疾病、休克、循环系统疾病、血液凝固系统疾病、恶性肿瘤、获得性免疫缺陷综合征（AIDS）和 AIDS 相关综合征（ARC）、寄生虫病、神经变性疾病、肺部疾病、骨吸收疾病、内分泌失调等。