3-methylisoleucine | 5632-92-8

• 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: 3-methylisoleucine
• 英文别名: DL-2-Amino-3,3-dimethylpentansaeure；2-amino-3,3-dimethyl-valeric acid；2-Amino-3,3-dimethyl-valeriansaeure；2-amino-3,3-dimethylpentanoic acid
• CAS: 5632-92-8
• 化学式: C₇H₁₅NO₂
• mdl: MFCD19204213
• 分子量: 145.202
• InChiKey: AQIFZAKDNFZWND-UHFFFAOYSA-N

物化性质

• 沸点：
  236.0±23.0 °C(Predicted)
• 密度：
  1.016±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-phenyl-4-isopropylidene-5(4H)oxazolone 在 乙醚 、 氢溴酸 、 溶剂黄146 作用下， 生成 3-methylisoleucine
  参考文献：
  名称：

  Horner; Schwahn, Justus Liebigs Annalen der Chemie, 1955, vol. 591, p. 99,104, 105

  摘要：

  DOI：

文献信息

• [EN] ARYLAMIDES AND METHODS OF USE THEREOF<br/>[FR] ARYLAMIDES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：GENZYME CORP

  公开号：WO2021113809A1

  公开（公告）日：2021-06-10

  The present disclosure relates to heterocyclic compounds, pharmaceutically acceptable salts thereof, and pharmaceutical preparations thereof. Also described herein are compositions and the use of such compounds in methods of treating diseases and conditions mediated by deficient CFTR activity, in particular cystic fibrosis.

  本公开涉及杂环化合物，其药用盐以及药物制剂。本文还描述了这些化合物的组成以及在治疗由CFTR活性不足介导的疾病和病况的方法中的使用，特别是囊性纤维化。
• The asymmetric synthesis of allylglycine and other unnatural α-amino acids via zinc-mediated allylation of oximes in aqueous media
  作者：Stephen Hanessian、Rui-Yang Yang

  DOI：10.1016/0040-4039(96)01118-5

  日期：1996.7

  Enantiomerically pure or highly enriched allylglycine and its chain-substituted analogs are easily accessible from the reaction of the sultam derivative of O-benzyl glyoxylic acid oxime with allylic bromides in the presence of powdered zinc in aqueous ammonium chloride.

  对映体纯的或高度富集的烯丙基甘氨酸及其链取代的类似物，在粉末状的锌在氯化铵水溶液中的存在下，很容易从O-苄基乙醛酸肟的磺胺衍生物与烯丙基溴的反应中获得。
• Inhibitors of hepatitis C virus NS3 protease
  申请人：——

  公开号：US20020065248A1

  公开（公告）日：2002-05-30

  The present invention relates to compounds of Formula (I): 1 wherein A 1 is methylene, ethylene or propylene group and A 2 is N or CR 5 , or stereoisomeric forms, stereoisomeric mixtures, or pharmaceutically acceptable salt forms thereof, which are useful as inhibitors of HCV NS3 protease, and to pharmaceutical compositions and diagnostic kits comprising the same, and methods of using the same for treating viral infection or as an assay standard or reagent.

  本发明涉及化合物的结构公式（I）：其中A1为亚甲基、乙烯基或丙烯基，A2为N或CR5，或其立体异构体形式、立体异构体混合物或药用盐形式，用作HCV NS3蛋白酶的抑制剂，以及包含相同化合物的药物组合物和诊断试剂盒，以及用于治疗病毒感染或作为测定标准或试剂的方法。
• [EN] CYCLIC PEPTIDES FOR PROTECTION AGAINST RESPIRATORY SYNCYTIAL VIRUS<br/>[FR] PEPTIDES CYCLIQUES POUR LA PROTECTION CONTRE LE VIRUS RESPIRATOIRE SYNCYTIAL
  申请人：VIROMETIX AG

  公开号：WO2018229156A1

  公开（公告）日：2018-12-20

  The present invention relates to a cyclic peptide, a conjugate comprising said cyclic peptide and a lipopeptide building block, a bundle of said conjugates, a synthetic virus-like particle comprising at least one bundle of conjugates and pharmaceutical compositions comprising the same. The present invention further relates to said cyclic peptide, said conjugate said bundle of conjugates, said synthetic virus-like particle and said pharmaceutical compositions for use as a medicament, preferably for use in a method for preventing of an infectious disease or reducing the risk of an infectious disease, more preferably for use in a method for preventing or reducing the risk of an infectious disease associated with or caused by a respiratory syncytial virus. In particular, the present invention relates to a cyclic peptide, wherein said cyclic peptide comprises an amino acid sequence (I), wherein said amino acid sequence (I) comprises the following amino acid sequence: X1-X2-X3-C4-X5-X6-X7-C8-X9-X10-X11-P12-I13-T14-N15-D16-Q17-K18-K19-L20-C21- X22-X23-X24-C25-X26-X27-X28-X29-X30 (SEQ ID NO: 1), wherein X1, X2, X3, X5, X6, X7, X9, X10, X11, X22, X23, X24, X26, X27, X28 and X29 are independently of each other an amino acid; C4, C8, C21 and C25 are independently of each other cysteine; P12 is proline; I13 is isoleucine; T14 is threonine; N15 is asparagine; D16 is aspartic acid; Q17 is glutamine; K18 and K19 are independently of each other lysine; L20 is leucine; and X30 is an amino acid or a deletion, wherein said cysteines C4 and C25 form a first disulfide bond and said cysteines C8 and C21 form a second disulfide bond.

  本发明涉及一种环肽，一种包含所述环肽和脂肽肽基的结合物，一束所述结合物，一种合成的类病毒颗粒，其中包括至少一个结合物束以及包含它们的制药组合物。本发明还涉及该环肽，该结合物，该结合物束，该合成的类病毒颗粒和该制药组合物作为药物的用途，优选用于预防传染病或降低传染病风险的方法，更优选用于预防或降低与呼吸道合胞病毒相关或由其引起的传染病的方法。特别地，本发明涉及一种环肽，其中所述环肽包括氨基酸序列(I)，其中所述氨基酸序列(I)包括以下氨基酸序列：X1-X2-X3-C4-X5-X6-X7-C8-X9-X10-X11-P12-I13-T14-N15-D16-Q17-K18-K19-L20-C21-X22-X23-X24-C25-X26-X27-X28-X29-X30(SEQ ID NO:1)，其中X1、X2、X3、X5、X6、X7、X9、X10、X11、X22、X23、X24、X26、X27、X28和X29分别是氨基酸；C4、C8、C21和C25分别是半胱氨酸；P12是脯氨酸；I13是异亮氨酸；T14是苏氨酸；N15是天冬氨酸；D16是天冬酸；Q17是谷氨酰胺；K18和K19分别是赖氨酸；L20是亮氨酸；X30是氨基酸或缺失，其中所述半胱氨酸C4和C25形成第一二硫键，所述半胱氨酸C8和C21形成第二二硫键。
• Peptide inhibitors of hepatitis C virus NS3 protein
  申请人：——

  公开号：US20020177725A1

  公开（公告）日：2002-11-28

  This invention relates to a novel class of peptides having the Formula (I): 1 Which are useful as serine protease inhibitors, and more particularly as Hepatitis C virus(HCV) NS3 protease inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of using the same in the treatment of HCV infection.

  本发明涉及一类新型肽的公式(I)：1，其作为丝氨酸蛋白酶抑制剂具有用途，更具体地作为丙型肝炎病毒（HCV）NS3蛋白酶抑制剂。本发明还涉及包含这些化合物的制药组合物以及使用它们治疗HCV感染的方法。