2-甲酰氨基-3-甲基戊酸 | 89810-44-6

• 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: 2-甲酰氨基-3-甲基戊酸
• 英文名称: N-formyl-isoleucine
• 英文别名: N-Formyl-DL-isoleucin；N-Formyl-isoleucin；2-Formamido-3-methyl-pentanoic acid；2-formamido-3-methylpentanoic acid
• CAS: 89810-44-6
• 化学式: C₇H₁₃NO₃
• 分子量: 159.185
• InChiKey: IONXXIKCTQHZNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲酰氨基-3-甲基戊酸 在 盐酸 、 sodium hydroxide 、 乙醚 、 氨 、 水 、 马钱子碱 作用下， 生成 环(异亮氨酸-丙氨酸)二肽
  参考文献：
  名称：

  Abderhalden; Hirsch; Schuler, Chemische Berichte, 1909, vol. 42, p. 3400

  摘要：

  DOI：
• 作为产物：
  描述：

  D-异亮氨酸 生成 2-甲酰氨基-3-甲基戊酸
  参考文献：
  名称：

  F.Ehrlich bei Locquin, Bulletin de la Societe Chimique de France, 1907, vol. <4>1, p. 603

  摘要：

  DOI：

文献信息

• PHENYLCYCLOBUTYLAMIDE DERIVATIVES AND THEIR STEREOISOMERS, THE PREPARATION PROCESSES AND USES THEREOF
  申请人：Zhao Shuqiang

  公开号：US20110224305A1

  公开（公告）日：2011-09-15

  Phenylcyclobutylamide derivatives and their optical isomers, the preparing processes and the uses thereof, which includes the compounds of formula (I), their pure stereoisomers and their pharmaceutically acceptable salts. In formula (I), R is H, formacyl, acetyl, haloacetyl, benzoyl, benzyloxy carbonyl (Cbz), t-butoxy carbonyl (Boc), or 9-fluorenyl methoxyl carbonyl (Fmoc). The present novel compounds have pharmaceutical activity and are prepared by condensation reaction of racemic, levo- or dextro-demethyl Sibutramine and racemic or D/L isoleucine under a mild condition. It is demonstrated that the present compounds have effect of losing weight to obese mode rats in different level and the effect is better than Sibutramine by the animal experiments. So the medicaments prepared by the present compounds or the medicaments prepared by the compositions of the present compounds and other pharmaceutical activity compounds may be used for treating obesity.

  苯基环丁酰胺衍生物及其光学异构体，其制备方法和用途，包括式(I)化合物，其纯立体异构体和其药学可接受的盐。在式(I)中，R为H，甲酰基，乙酰基，卤代乙酰基，苯甲酰基，苄氧羰基（Cbz），叔丁氧羰基（Boc）或9-芴甲氧羰基（Fmoc）。这些新型化合物具有药理活性，是通过在温和条件下将外消旋、左旋或右旋去甲基西布曲明和外消旋或D/L异亮氨酸进行缩合反应制备的。动物实验表明，这些化合物对不同程度的肥胖模式大鼠有减肥作用，且效果优于西布曲明。因此，通过这些化合物制备的药物或通过这些化合物和其他药理活性化合物组成的药物可以用于治疗肥胖症。
• METALLOENZYME INHIBITOR COMPOUNDS
  申请人：VIAMET PHARMACEUTICALS, INC.

  公开号：US20150353546A1

  公开（公告）日：2015-12-10

  The instant invention describes compounds having metalloenzyme modulating activity, and methods of treating diseases, disorders or symptoms thereof mediated by such metalloenzymes.

  这个发明描述了具有金属酶调节活性的化合物，并且提供了治疗由这些金属酶介导的疾病、疾病症状或疾病障碍的方法。
• PHENYLCYCLOBUTYLAMIDE DERIVATIVES AND THEIR STEREOISOMERS, THE PREPARING PROCESSES AND THE USES THEREOF
  申请人：Beijing Cachet Biomedical Co., Ltd

  公开号：EP2261203A1

  公开（公告）日：2010-12-15

  Phenylcyclobutylamide derivatives and their optical isomers, the preparing processes and the uses thereof, which includes the compounds of formula (I), their pure stereoisomers and their pharmaceutically acceptable salts. In formula (I), R is H, formacyl, acetyl, haloacetyl, benzoyl, benzyloxy carbonyl (Cbz), t-butoxy carbonyl (Boc), or 9-fluorenyl methoxyl carbonyl (Fmoc). The present novel compounds have pharmaceutical activity and are prepared by condensation reaction of racemic, levo- or dextro- demethyl Sibutramine and racemic or D/L isoleucine under a mild condition. It is demonstrated that the present compounds have effect of losing weight to obese mode rats in different level and the effect is better than Sibutramine by the animal experiments. So the medicaments prepared by the present compounds or the medicaments prepared by the compositions of the present compounds and other pharmaceutical activity compounds may be used for treating obesity.

  苯基环丁基酰胺衍生物及其光学异构体、制备工艺和用途，包括式（I）化合物、它们的纯立体异构体和它们的药学上可接受的盐。在式 (I) 中，R 是 H、甲酰基、乙酰基、卤乙酰基、苯甲酰基、苄氧羰基 (Cbz)、叔丁氧基羰基 (Boc) 或 9-芴甲氧羰基 (Fmoc)。本新型化合物具有药物活性，是由外消旋、左旋或右旋去甲基西布曲明与外消旋或 D/L 异亮氨酸在温和条件下进行缩合反应制备而成。动物实验证明，本化合物对不同程度的肥胖模式大鼠均有减肥效果，且效果优于西布曲明。因此，本化合物制备的药物或本化合物与其他药物活性化合物的组合物制备的药物可用于治疗肥胖症。
• JP2015/42622
  申请人：——

  公开号：——

  公开（公告）日：——
• Remote Binding Energy in Antibody Catalysis:  Studies of a Catalytically Unoptimized Specificity Pocket
  作者：Herschel Wade、Thomas S. Scanlan

  DOI：10.1021/ja983017e

  日期：1999.2.1

  Binding interactions remote from the hydrolytic reaction center have been probed with substrate and phosphonate transition state analogues to understand how these types of interactions are used to promote catalysis in the 17E8 system, We find that the hapten-generated recogniton pocket in 17E8 has properties that are analogous to those of specificity pockets in enzymes, pie have also found that there are specific requirements to form catalytically productive interactions between the side chain and the recognition pocket including conformation, size, and geometry. An additional requirement includes Favorable simultaneous interactions between the side chain and binding packet along with favorable interactions with the oxyanion hole. The 17E8 side chain recognition pocket seems to be less catalytically efficient than analogous pockets in enzymatic systems. The apparent binding energy gained from the methylene-packet interactions in the 17E8 system is significantly smaller than those observed in natural enzymes. Furthermore, 17E8 does not use specific interactions in the recognition pocket to significantly affect catalytic turnover (k(cat)) which is thought to be a trait of an unoptimized catalyst. Analysis of the crystal structure of the 17E8,hapten complex has allowed for the identification of differences between the active sites of 17E8; and several proteases, The identified differences give insight to the sources of the inefficient use of binding energy.