(S)-2-(((2-methoxyethoxy)carbonyl)amino)-3-methylbutyric acid | 161852-49-9

• 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: (S)-2-(((2-methoxyethoxy)carbonyl)amino)-3-methylbutyric acid
• 英文别名: N-(2-methoxy)ethoxycarbonylvaline；(S)-2-((2-methoxy-ethoxy)carbonylamino)-3-methylbutanoic acid；N-(2-Methoxy-ethoxycarbonyl)-(L)-valine；(2S)-2-(2-methoxyethoxycarbonylamino)-3-methylbutanoic acid
• CAS: 161852-49-9
• 化学式: C₉H₁₇NO₅
• 分子量: 219.238
• InChiKey: JFUXYLUCQHSOSY-ZETCQYMHSA-N

物化性质

• 沸点：
  364.6±27.0 °C(Predicted)
• 密度：
  1.146±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-2-(((2-methoxyethoxy)carbonyl)amino)-3-methylbutyric acid 在 1,4-二氧六环 、 盐酸 、 1-ethyl-3-(3-diaminopropyl)carbodiimide hydrochloride 、 1-羟基苯并三唑一水物 、 三乙胺 作用下， 反应 35.0h， 生成 ((S)-1-{(1S,2S)-1-Benzyl-3-[N-cyclohexylmethyl-N'-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-hydrazino]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-carbamic acid 2-methoxy-ethyl ester
  参考文献：
  名称：

  Aza-Peptide Analogs as Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors with Oral Bioavailability

  摘要：

  A series of aza-peptide analogs with a (hydroxyethyl)hydrazine isostere has been synthesized as HIV-1 protease inhibitors using a simple synthetic scheme. Structure-activity studies based on the X-ray of a previously described inhibitor-enzyme complex led to potent inhibitors with antiviral activity in the low-nanomolar range. The S-configuration of the transition-state hydroxyl group was preferred in this series. Small modifications of the P2P3 and P-2'P-3' substituents had little effect on enzyme inhibition but greatly influenced the pharmacokinetic profile. As a result of these studies, the symmetrically acylated compound 8a and its close analog 24a bearing a methyl carbamate in P-3 and an ethyl carbamate in P-3' position were identified as potent inhibitors with plasma concentrations exceeding antiviral ED(50) values 150-fold following oral application in mice.

  DOI：

  10.1021/jm960022p
• 作为产物：
  描述：

  L-缬氨酸 、 2-甲氧基氯甲酸乙酯 在 氯仿 作用下， 以 1,4-二氧六环 、 sodium hydroxide 为溶剂， 反应 18.0h， 生成 (S)-2-(((2-methoxyethoxy)carbonyl)amino)-3-methylbutyric acid
  参考文献：
  名称：

  Antiretroviral hydrazine derivatives

  摘要：

  本发明涉及式子##STR1##的化合物及其盐、药物组合物、中间体和制备方法。

  公开号：

  US05753652A1

文献信息

• [EN] LINKED DIBENZIMIDAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS DU DIBENZIMIDAZOLE LIÉS
  申请人：ENANTA PHARM INC

  公开号：WO2010091413A1

  公开（公告）日：2010-08-12

  The present invention discloses linked dibenzimidazole derivatives, or pharmaceutically acceptable salts, esters, or prodrugs thereof, which inhibit RNA-containing virus, particularly the hepatitis C virus (HCV). Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了联苯二咪唑衍生物，或其药学上可接受的盐、酯或前药，其抑制含RNA的病毒，特别是丙型肝炎病毒（HCV）。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，并且也可用作抗病毒剂。本发明还涉及包括上述化合物的药物组合物，用于治疗患有HCV感染的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的HCV感染的方法。
• [EN] SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES SILYLÉS ET MÉTHODES D'UTILISATION DE CEUX-CI POUR TRAITER LES MALADIES VIRALES
  申请人：MERCK SHARP & DOHME

  公开号：WO2013039878A1

  公开（公告）日：2013-03-21

  The present invention relates to novel Silyl-Containing Heterocyclic Compounds of Formula (I): (I) and pharmaceutically acceptable salts thereof, wherein A, B, C, D and R2 are as defined herein. The present invention also relates to compositions comprising at least one Silyl-Containing Heterocyclic Compound, and methods of using the Silyl-Containing Heterocyclic Compounds for treating or preventing HCV infection in a patient.

  本发明涉及新型的含硅杂环化合物，其化学式为（I）：（I），以及其药学上可接受的盐，其中A、B、C、D和R2如本文所定义。本发明还涉及包含至少一种含硅杂环化合物的组合物，以及使用这些含硅杂环化合物治疗或预防患者HCV感染的方法。
• [EN] SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES CONTENANT UN SILYLE ET MÉTHODES D'UTILISATION DESDITS COMPOSÉS POUR TRAITER LES MALADIES VIRALES
  申请人：MERCK SHARP & DOHME

  公开号：WO2013039876A1

  公开（公告）日：2013-03-21

  The present invention relates to novel Silyl-Containing Heterocyclic Compounds of Formula (I): and pharmaceutically acceptable salts thereof, wherein A, B, C, D, E, F and L are as defined herein. The present invention also relates to compositions comprising at least one Silyl-Containing Heterocyclic Compound, and methods of using the Silyl-Containing Heterocyclic Compounds for treating or preventing HCV infection in a patient.

  本发明涉及具有以下式（I）的新型含硅杂环化合物及其药学上可接受的盐，其中A、B、C、D、E、F和L如本文所定义。本发明还涉及包含至少一种含硅杂环化合物的组合物，以及使用这些含硅杂环化合物治疗或预防患者HCV感染的方法。
• [EN] TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES TÉTRACYCLIQUES POUR LE TRAITEMENT D'UNE INFECTION PAR LE VIRUS DE L'HÉPATITE C
  申请人：MERCK SHARP & DOHME

  公开号：WO2012041227A1

  公开（公告）日：2012-04-05

  Tetracyclic heterocycle compounds of formula (I) and pharmaceutically acceptable salts thereof are provided, wherein A, A', G, R1, R15, U, V, V', W, W, X, X', Y and Y' are as defined in the invention. The pharmaceutical compositions comprising these compounds and the use of the compounds for treating hepatitis C virus (HCV) infection are also provided.

  提供了化学式（I）的四环杂环化合物及其药用可接受的盐，其中A、A'、G、R1、R15、U、V、V'、W、W、X、X'、Y和Y'如本发明中所定义。还提供了包含这些化合物的药物组合物以及利用这些化合物治疗丙型肝炎病毒（HCV）感染的用途。
• [EN] TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION<br/>[FR] DÉRIVÉS D'INDOLES TÉTRACYCLIQUES POUR LE TRAITEMENT D'UNE INFECTION PAR LE VIRUS DE L'HÉPATITE C
  申请人：MERCK SHARP & DOHME

  公开号：WO2012041014A1

  公开（公告）日：2012-04-05

  Tetracyclic indole derivatives of formula (I), pharmaceutically acceptable salts and the pharmaceutical compositions thereof are provided, wherein A, A', G, R1, R15, U, V, V, W, W, X, X', Y, Y' are as defined in the invention. Use of these derivatives for treating hepatitis C virus (HCV) infection is also provided.

  提供了公式（I）的四环吲哚衍生物、药用盐及其药物组合物，其中A、A'、G、R1、R15、U、V、V、W、W、X、X'、Y、Y'如本发明所定义。还提供了利用这些衍生物治疗丙型肝炎病毒（HCV）感染的方法。