(2S)-2-氨基-5-(甲脒基-甲基氨基)戊酸 | 77044-73-6

• 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
• 中文名称: (2S)-2-氨基-5-(甲脒基-甲基氨基)戊酸
• 英文名称: N^G-monomethyl-L-arginine
• 英文别名: L-NMMA；N-monomethyl-L-arginine；delta-N-Methylarginine；(2S)-2-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid
• CAS: 77044-73-6
• 化学式: C₇H₁₆N₄O₂
• 分子量: 188.23
• InChiKey: XKCWNEVAXQCMGP-YFKPBYRVSA-N

物化性质

• 沸点：
  361.5±52.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.6
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  116
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N^δ-methyl-L-ornithine hydrochloride 在 盐酸 、 三乙胺 、 三氟乙酸 、 mercury dichloride 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 52.5h， 生成 (2S)-2-氨基-5-(甲脒基-甲基氨基)戊酸
  参考文献：
  名称：

  l-Arginine analogs as alternate substrates for nitric oxide synthase

  摘要：

  The L-arginine analogs, N-delta-methyl-L-arginine (delta MA) and L-canavanine, were used to probe the role of the N-delta nitrogen of L-arginine in the reaction catalyzed by nitric oxide synthase (NOS). delta MA was synthesized and found to be a partial alternate substrate and a weak, reversible inhibitor of NOS with a K-i equal to 1.4 mM. delta MA undergoes hydroxylation; however, it is not converted further, hence it functions as a partial substrate. L-Canavanine was converted to an L-homoserine presumably via initial hydroxylation and decomposition. The mechanism of this reaction and products of this reaction were not probed further. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.088

文献信息

• COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY DISORDERS
  申请人：Kandula Mahesh

  公开号：US20150133407A1

  公开（公告）日：2015-05-14

  The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I, and methods for the treatment of respiratory disorders may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of viscid or excessive mucus, cough, inflammation, redness in sore throat, infection in the throat, sore throat, abnormal mucus secretion, impaired mucus transport, allergic rhinitis, asthma, COPD, respiratory muscular disorders and pain in acute sore throat.

  本发明涉及公式I的化合物或其药用可接受的盐，以及它们的聚合物、溶剂化物、对映体、立体异构体和水合物。包含有效量的公式I化合物的药物组合物，以及用于治疗呼吸系统疾病的方法，可以口服、颊部、直肠、局部、经皮、经粘膜、静脉、非肠道给药、糖浆或注射剂的形式制备。此类组合物可用于治疗粘性或过量粘液、咳嗽、喉咙痛的红肿、喉咙感染、喉咙痛、异常粘液分泌、粘液运输受损、过敏性鼻炎、哮喘、慢性阻塞性肺病（COPD）、呼吸肌疾病和急性喉咙痛的疼痛。
• [EN] HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES, MÉDICAMENTS CONTENANT LESDITS COMPOSÉS, UTILISATION DE CEUX-CI ET PROCÉDÉS POUR LA PRÉPARATION DE CEUX-CI
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2013092674A1

  公开（公告）日：2013-06-27

  The present invention relates to compounds of general formula (I) and the tautomers and the salts thereof, particularly the pharmaceutically acceptable salts thereof with inorganic or organic acids and bases, which have valuable pharmacological properties, particularly an inhibitory effect on epithelial sodium channels, the use thereof for the treatment of diseases, particularly diseases of the lungs and airways.

  本发明涉及一般式(I)的化合物，以及其互变异构体和盐，特别是其与无机或有机酸和碱形成的药用盐，具有有价值的药理特性，特别是对上皮钠通道具有抑制作用，其用于治疗疾病，特别是肺部和气道疾病。
• Pro-drug and use thereof as a medicament
  申请人：——

  公开号：US20040138108A1

  公开（公告）日：2004-07-15

  The invention relates to a pro-drug comprising a cyclic undecapeptide wherein the peptide chain thereof comprises at least one amino acid residue of general formula (1) wherein the carbon atom C a is one of the links in said undecapeptide cycle; —substituents Y individually represent a hydrogen atom or form a bond together; —substitutents R 1 and R 3 independently represent a hydrogen atom, an aralkyl group, an alkaryl group, a heteroalkyl group, a heterocyclic group, a heterocyclic alkyl group, an alkyl heterocyclic group or an alkyl group having 1-6 carbon atoms which is linear or branched, and which is optionally substituted by at least one of the groups chosen from among —COOH, —CONHR 8 , —NHCO═NH(NH 2 ), —NHC═NR 8 (NH 2 ), —NH 2 , —NHR 8 , —NR 8 2 , —N + R 8 3 , —OH, —OPO(OR 8 ) 2 , —OPO(OH)(OR 8 ), —OPO(OH) 2 , —OSO(OR 8 ) 2 , —OSO(OH)(OR 8 ), —OSO(OH) 2 , and the different salts produced therefrom, each of the substituents R 8 independently representing alkyl group which is linear or ramified having 1-6 carbon atoms; —substituents R 2 and R 4 independently represent a hydrogen atom, an alkaryl group or an alkyl group having 1-6 carbon atoms which is linear or branched; —the substituents R 5 and R 6 individually represent a hydrogen atom, an aralkyl group, an alkyl group having 1-6 carbon atoms which is linear or branched; and substituent R 7 represents an alkaryl group, a heteroalkyl group, a heterocylic group, a heterocylic alkyl group, an alkyl heterocyclic group or an alkyl group having 1-6 carbon atoms which is linear or branched.

  该发明涉及一种前药，包括一个环式十一肽，其中其肽链至少包括一个一般式（1）中的氨基酸残基，其中碳原子C a 是所述十一肽环中的链接之一；—取代基Y分别表示氢原子或共同形成键；—取代基R 1 和R 3 独立地表示氢原子、芳基烷基、烷基芳基、杂原子烷基、杂环基、杂环烷基、烷基杂环基或具有1-6个碳原子的线性或支链烷基，其可以被所选自—COOH、—CONHR 8 、—NHCO═NH(NH 2 )、—NHC═NR 8 (NH 2 )、—NH 2 、—NHR 8 、—NR 8 2 、—N + R 8 3 、—OH、—OPO(OR 8 ) 2 、—OPO(OH)(OR 8 )、—OPO(OH) 2 、—OSO(OR 8 ) 2 、—OSO(OH)(OR 8 )、—OSO(OH) 2 及由此产生的不同盐中的至少一个取代基取代；其中每个取代基R 8 独立地表示具有1-6个碳原子的线性或支链烷基；—取代基R 2 和R 4 独立地表示氢原子、烷基芳基或具有1-6个碳原子的线性或支链烷基；—取代基R 5 和R 6 分别表示氢原子、芳基烷基、具有1-6个碳原子的线性或支链烷基；取代基R 7 表示芳基烷基、杂原子烷基、杂环基、杂环烷基、烷基杂环基或具有1-6个碳原子的线性或支链烷基。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERIODONTITIS AND RHEUMATOID ARTHRITIS
  申请人：Kandula Mahesh

  公开号：US20150133475A1

  公开（公告）日：2015-05-14

  The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I, and methods for the treatment of periodontitis and rheumatoid arthritis may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection.

  该发明涉及公式I的化合物或其药用可接受的盐，以及其多晶型、溶剂合物、对映体、立体异构体和水合物。包括公式I化合物的有效量的药物组合物，以及用于牙周炎和类风湿关节炎治疗的方法可以制成口服、颊内、直肠、局部、经皮、经粘膜、静脉、肠道、糖浆或注射剂的制剂。
• [EN] COMPOUND, COMPOSITION AND USES THEREOF<br/>[FR] COMPOSÉ, COMPOSITION ET LEURS UTILISATIONS
  申请人：RAO M SURYA

  公开号：WO2017037566A1

  公开（公告）日：2017-03-09

  The disclosures herein provide compounds of formula I, formula II, formula III, formula IV, formula V, formula VI and formula VII or its pharmaceutical acceptable compositions and salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These compositions or salts may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of stomach and esophageal problems or its associated complications.

  本公开提供的化合物包括式I、式II、式III、式IV、式V、式VI和式VII或其药用可接受的组合物和盐，以及其多晶型、对映体、立体异构体、溶剂合物和水合物。这些组合物或盐可以制成药物组合物。药物组合物可以制成口服、颊内、直肠、局部、经皮、经粘膜、静脉、肠道、糖浆或注射用药物组合物。这些组合物可用于治疗胃和食道问题或其相关并发症。