(S)-valine benzyl ester hydrochloride

• 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: (S)-valine benzyl ester hydrochloride
• 英文别名: (R)-benzyl 2-amino-3-methylbutanoate hydrochloride；D-valine benzyl ester hydrochloride；(R)-valine benzylester hydrochloride；(R)-2-amino-3-methylbutanoic acid benzyl ester hydrochloride；benzyl (2R)-2-amino-3-methylbutanoate;hydrochloride
• 化学式: C₁₂H₁₇NO₂*ClH
• 分子量: 243.733
• InChiKey: ZIUNABFUHGBCMF-RFVHGSKJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.13
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-valine benzyl ester hydrochloride 在 氢氟酸 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 L-缬氨酸-D-缬氨酸
  参考文献：
  名称：

  摘要：

  DOI：

  10.1023/a:1016259816661
• 作为产物：
  描述：

  Boc-D-缬氨酸 在 盐酸 、 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 14.0h， 生成 (S)-valine benzyl ester hydrochloride
  参考文献：
  名称：

  Enantiomeric recognition of carboxylic anions by a library of neutral receptors derived from α-amino acids and o-phenylenediamine

  摘要：

  A library of eight neutral anion receptors consisting of a-amino acid esters attached to o-phenylenediamine by urea groups was synthesized and analysed in terms of capacity for chiral recognition of carboxylates. The NMR titrations revealed that the association constants of complexes consisting of a chiral guest and a chiral host are two orders of magnitude lower than those of achiral partners. Diverse substituents in the receptor structure modify both the affinities and enantioselectivities. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2014.06.004

文献信息

• Reinvestigation of the iodine-mediated phosphoramidation reaction of amines and P(OR)₃ and its synthetic applications
  作者：Xunwei Chen、Zecai Xiao、Hanyu Chu、Bo Wang、Ai-Yun Peng

  DOI：10.1039/c8ob01840e

  日期：——

  study on the iodine-mediated phosphoramidation reaction of amines and trialkyl phosphites was conducted, which not only disclosed the factors affecting the reaction but also revealed that it could proceed smoothly in CH2Cl2 at room temperature in open air. Using this method, various phosphoramidates with different aliphatic amines and aromatic amines were synthesized in good to excellent yields. Our

  对胺与亚磷酸三烷基酯的碘介导的磷酰胺化反应进行了系统的研究，不仅揭示了影响该反应的因素，而且还揭示了它可以在室温下在露天的CH 2 Cl 2中顺利进行。使用该方法，以良好至极佳的产率合成了具有不同脂族胺和芳族胺的各种氨基磷酸酯。我们目前的研究表明，这种未被充分利用的方法实际上是一种温和，实用和通用的合成氨基磷酸酯的方法，将有广泛的应用。
• Total Synthesis of the Antiviral Peptide Antibiotic Feglymycin
  作者：Frank Dettner、Anne Hänchen、Dominique Schols、Luigi Toti、Antje Nußer、Roderich D. Süssmuth

  DOI：10.1002/anie.200804130

  日期：2009.2.23

  An adaptable approach: The first highly convergent stereoselective synthesis of feglymycin (see structure) and its enantiomer is based on the coupling of repeating peptide fragments. The use of weakly basic conditions throughout the synthesis suppressed the epimerization of sensitive aryl glycine units. Feglymycin has strong anti‐HIV activity as well as potent (previously identified as weak) antibacterial

  一种适应性强的方法：Feglymycin（见结构）及其对映异构体的第一个高度收敛的立体选择性合成是基于重复肽片段的偶联。在整个合成过程中使用弱碱性条件抑制了敏感的芳基甘氨酸单元的差向异构化。Feglymycin具有强大的抗HIV活性以及对金黄色葡萄球菌的有效（先前被确认为弱）抗菌活性。
• [EN] SUBSTITUTED N-(2-(AMINO)-2-OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES<br/>[FR] N-(2-AMINO)-2-OXOÉTRIYLBENZAMIDES SUBSTITUÉS EN TANT QU'INHIBITEURS D'AUTOTAXINE
  申请人：X RX DISCOVERY INC

  公开号：WO2015175171A1

  公开（公告）日：2015-11-19

  The present invention relates to compounds according to Formula I and pharmaceutically acceptable salts, synthesis, intermediates, formulations, and methods of disease treatment therewith, including cancer, lymphocyte homing, chronic inflammation, neuropathic pain, fibrotic diseases, thrombosis, and cholestatic pruritus, mediated at least in part by ATX.

  本发明涉及符合式I的化合物及药用盐，以及与之相关的合成、中间体、配方和用于治疗疾病的方法，包括癌症、淋巴细胞归巢、慢性炎症、神经病痛、纤维化疾病、血栓形成和胆汁淤积性瘙痒，至少部分由ATX介导。
• Arylsulfonylamino hydroxamic acid derivatives
  申请人：Pfizer Inc

  公开号：US05863949A1

  公开（公告）日：1999-01-26

  A compound of formula (I), wherein n, X, R.sup.3, R.sup.4 and Ar are as defined above, useful in the treatment of a condition selected from the group consisting of arthritis, cancer, tissue ulceration, restenosis, periodontal disease, epidermolysis bullosa, scleritis and other diseases characterized by matrix metalloproteinase activity, AIDS, sepsis, septic shock and other diseases involving the production of TNF. ##STR1##

  式（I）的化合物，其中n、X、R.sup.3、R.sup.4和Ar如上所定义，可用于治疗所选疾病，包括关节炎、癌症、组织溃疡、再狭窄、牙周病、表皮溃疡性水疱病、巩膜炎和其他以基质金属蛋白酶活性为特征的疾病，艾滋病、败血症、脓毒性休克和其他涉及TNF产生的疾病。
• NOVEL THIOPHENECARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF
  申请人：Yamashita Tokuyuki

  公开号：US20120101137A1

  公开（公告）日：2012-04-26

  The object of the present invention is to provide a compound having a glucokinase-activating effect. A pharmaceutical composition comprising a compound represented by the general formula (I) or a pharmaceutically acceptable salt thereof as an active ingredient: wherein X means a nitrogen atom or CR 6 , wherein R 6 means a hydrogen atom or a halogen atom; R 1 means a hydrogen atom, a C1-C6 alkyl group, a C1-C6 alkoxy group or a C1-C6 alkylthio group; R 2 means a hydrogen atom or a fluorine atom; R 3 means a hydrogen atom or a C1-C6 alkyl group; and one of R 4 and R 5 means a hydrogen atom or a C1-C6 alkyl group, and the other means a C1-C6 alkylenecarboxylic acid, a C1-C6 alkylsulfonyl group, a C1-C6 alkylcarbonyl group, or CONH 2 .

  本发明的目的是提供一种具有激活葡萄糖激酶作用的化合物。一种包含以下通式（I）所表示的化合物或其药学上可接受的盐为活性成分的药物组合物：其中X代表一个氮原子或CR6，其中R6代表氢原子或卤素原子；R1代表氢原子、C1-C6烷基、C1-C6烷氧基或C1-C6烷硫基；R2代表氢原子或氟原子；R3代表氢原子或C1-C6烷基；而R4和R5中的一个代表氢原子或C1-C6烷基，另一个代表C1-C6烷基羧酸、C1-C6烷基磺酰基、C1-C6烷基羰基或CONH2。