(R)-histidine monohydrochloride monohydrate | 328526-86-9

• 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: (R)-histidine monohydrochloride monohydrate
• 英文别名: D-L-histidine hydrate hydrochloride；D-histidine hydrochloride monohydrate；D-histidine ; hydrochloride hydrate；D-Histidin; Hydrochlorid-Hydrat；(2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride
• CAS: 328526-86-9
• 化学式: C₆H₉N₃O₂*ClH*H₂O
• 分子量: 209.633
• InChiKey: CMXXUDSWGMGYLZ-ZJIMSODOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.04
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  93
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (R)-histidine monohydrochloride monohydrate 在 溴 、 L-半胱氨酸 、 3-巯基丙酸 作用下， 以 水 为溶剂， 反应 19.12h， 以51%的产率得到D-2-硫代组氨酸
  参考文献：
  名称：

  Cysteine as a sustainable sulfur reagent for the protecting-group-free synthesis of sulfur-containing amino acids: biomimetic synthesis of l-ergothioneine in water

  摘要：

  生物质来源的半胱氨酸被用作可持续的硫源，用于合成稀有的含硫氨基酸，如可能是一种新维生素的L-厄替奥宁（L-ergothioneine）以及各种L-或D-2-硫组氨酸化合物。该简单的一锅两步水相反应程序的关键是通过溴诱导选择性引入半胱氨酸，然后在硫醇存在下进行新型热裂解反应，这是一种比危险红磷更安全的替代方法。除了避免有害的硫试剂外，这种新的无保护基团的方法大大减少了总步骤数，相较于已有的程序。主要缺点，即在水中处理作为活化和氧化试剂的液溴，已通过评估四种替代方法（使用原位生成溴或次溴酸）进行解决，并描述了初步令人鼓舞的结果。

  DOI：

  10.1039/c2gc35367a

文献信息

• Five-membered ring systems with bonded imidazolyl ring substituents
  申请人：Merck Sharp & Dohme Ltd.

  公开号：US05140034A1

  公开（公告）日：1992-08-18

  A class of 5-membered heterocyclic compounds having at least one heteroatom, substituted on the heterocyclic ring by an imidazolyl moiety, are useful in the treatment of psychotic disorders (e.g. schizophrenia and mania); anxiety; alcohol or drug withdrawal or dependence; pain; gastric stasis; gastric dysfunction (such as occurs with dyspepsia, peptic ulcer, reflux oesophagitis and flatulence); migraine, nausea and vomiting; movement disorders; and presenile and senile dementia.

  一类具有至少一个杂原子的5元杂环化合物，其杂环环上被咪唑基取代，可用于治疗精神分裂症（如精神分裂症和狂躁症）；焦虑；酒精或药物戒断或依赖；疼痛；胃潴留；胃功能障碍（如消化不良、消化性溃疡、反流性食管炎和胀气）；偏头痛、恶心和呕吐；运动障碍；以及老年性痴呆症和老年性痴呆症。
• Cyclic dipeptide enantiomers
  申请人：ICI AUSTRALIA LIMITED

  公开号：EP0304954A2

  公开（公告）日：1989-03-01

  The invention provides novel cyclic dipeptide enantiomers comprising (R)-histidine or a derivative thereof as one of the amino acid residues. These compounds are useful a catalysts for production of (S) -α-­cyanomethyl alcohols from aldehydes.

  本发明提供了一种新颖的环二肽对映体，其中包括(R)-组氨酸或其衍生物作为其中一种氨基酸残基。这些化合物可用作催化剂，用于从醛类产生(S)-α-氰甲基醇。
• Derivatives of 4,5,6,7-tetrahydroimidazo-[4,5-c]pyridinyl-6-carboxylic
  申请人：Anaquest, Inc.

  公开号：US05262537A1

  公开（公告）日：1993-11-16

  This invention pertains to a method for treating a condition of nausea and vomiting in a mammal which comprises administering a therapeutically effective amount of a 4,5,6,7-tetrahydroimidazo[4,5-c]pyridinyl-6-carboxylic acid derivative represented by the formula: ##STR1## wherein R.sub.1 and R.sub.2 are hydrogen or lower-alkyl; R.sub.3 is selected from the group consisting of hydrogen, lower-alkyl, nitro, amino, cyano, and alkylmercapto; R.sub.4 and R.sub.5 are selected from the group consisting of hydrogen, lower-alkyl, aryl, and aryl lower-alkyl, or R.sub.4 and R.sub.5 together with the carbon atom to which they are attached form a 5- or 6-member saturated hydrocarbon ring; R.sub.6 is selected from the group consisting of hydrogen, lower-alkyl, aryl lower-alkyl, formyl, lower-alkyl carbonyl, and aryl carbonyl; R.sub.7 is selected from the group consisting of phenyl, thienyl, indolyl, indazolyl, benzo[b]furanyl, benzo[b]thiophenyl, and R.sub.8 R.sub.9 --N--; R.sub.8 is selected from the group consisting of 8-[1,2,3,4,-tetrahydroquinolinyl], pyridinyl, 3-quinolinyl, 2-naphthalinyl, 2-thiazolyl, 2-benzothiazolyl, 4-[2,1,3]benzothiadiazolyl, 2-(4,5,6,7-tetrahydrobenzo)thiazolyl, 7-(2,2-dimethyl-2,3-dihydrobenzo)furanyl, and phenyl; R.sub.9 is hydrogen or lower-alkyl; R.sub.8 R.sub.9 --N-- is selected from the group consisting of 1-indolinyl, 1-(3,3-dimethylindolinyl), and 1-(1,2,3,4-tetrahydroquinolinyl); wherein the groups represented by R.sub.7 other than R.sub.8 R.sub.9 N-- may be unsubstituted or substituted with one or more substituents selected from the group consisting of lower-alkyl, lower-alkoxy, di-lower-alkylamino, and aryloxy, and the groups represented by R.sub.8 and the radical R.sub.8 R.sub.9 N-- may have one or more substituents selected from the group consisting of hydroxy, halogen, lower-alkyl, lower-alkoxy, amino, mono- or di-lower-alkylamino, lower-alkyl carbonyl, lower-alkoxy carbonyl, and aryloxy; wherein each aryloxy group may be unsubstituted or substituted with substituents independently selected from the group consisting of lower-alkyl, lower-alkoxy, halogen, and trifluoromethyl with the proviso that, when R.sub.8 is phenyl, said phenyl group contains at least one substituent.

  本发明涉及一种治疗哺乳动物恶心和呕吐症状的方法，包括向其施用一种由以下式表示的4,5,6,7-四氢咪唑[4,5-c]吡啶基-6-羧酸衍生物的治疗有效量： 其中R₁和R₂为氢或较低烷基；R₃选自氢、较低烷基、硝基、氨基、氰基和烷基硫醇的群；R₄和R₅选自氢、较低烷基、芳基和芳基较低烷基的群，或者R₄和R₅与它们连接的碳原子一起形成5-或6-成员饱和碳氢环；R₆选自氢、较低烷基、芳基较低烷基、甲酰基、较低烷基羰基和芳基羰基的群；R₇选自苯基、噻吩基、吲哚基、吲哚啉基、苯并[b]呋喃基、苯并[b]噻吩基和R₈R₉-N-的群；R₈选自8-[1,2,3,4-四氢喹啉基]、吡啉基、3-喹啉基、2-萘基、2-噻唑基、2-苯并噻唑基、4-[2,1,3]苯并噻二唑基、2-(4,5,6,7-四氢苯并)噻唑基、7-(2,2-二甲基-2,3-二氢苯并)呋喃基和苯基；R₉为氢或较低烷基；R₈R₉-N-选自1-吲哚基、1-(3,3-二甲基吲哚基)和1-(1,2,3,4-四氢喹啉基)的群；其中由R₇表示的除R₈R₉N-外的基可以是未取代或取代的，取代基选自较低烷基、较低烷氧基、二较低烷基氨基和芳氧基的群，由R₈和基团R₈R₉N-表示的基团可具有一个或多个取代基，取代基选自羟基、卤素、较低烷基、较低烷氧基、氨基、单或双较低烷基氨基、较低烷基羰基、较低烷氧基羰基和芳氧基；每个芳氧基可以是未取代或取代的，取代基可独立选自较低烷基、较低烷氧基、卤素和三氟甲基，但当R₈为苯基时，该苯基含有至少一个取代基。
• Chemical compounds
  申请人：——

  公开号：US20040038978A1

  公开（公告）日：2004-02-26

  Compounds of the general structural formula (I), and use of the compounds and salts and solvates thereof, as therapeutic agents.

  通用结构式（I）的化合物，以及这些化合物及其盐和溶剂化物的用途作为治疗剂。
• Anti-VLA1 (CD49A) antibody pharmaceutical compositions
  申请人：SANTARUS, INC.

  公开号：US10160808B2

  公开（公告）日：2018-12-25

  Formulations of anti-VLA-1 antibodies are described.

  描述了抗 VLA-1 抗体的配方。