N-acetylisoleucine methyl ester | 2256-76-0

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 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: N-acetylisoleucine methyl ester
• 英文别名: methyl N-acetyl-isoleucinate；DL-Isoleucine, N-acetyl-, methyl ester；methyl 2-acetamido-3-methylpentanoate
• CAS: 2256-76-0；56247-42-8；62927-29-1；92899-45-1
• 化学式: C₉H₁₇NO₃
• mdl: MFCD20355579
• 分子量: 187.239
• InChiKey: JPQWQTHLAKUOOA-UHFFFAOYSA-N

物化性质

• 熔点：
  54.0-55.0 °C
• 沸点：
  291.7±13.0 °C(Predicted)
• 密度：
  0.999±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.777
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2924199090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

文献信息

• [EN] ARTHROPOD CONTROLLING COMPOSITION<br/>[FR] COMPOSITION DE LUTTE CONTRE LES ARTHROPODES
  申请人：FIRMENICH & CIE

  公开号：WO2020239980A1

  公开（公告）日：2020-12-03

  The present invention relates to an arthropod controlling composition comprising a compound according to formula (I), methods and uses to control arthropods as well as arthropod controlling articles comprising the same.

  本发明涉及一种包括根据式(I)的化合物的节肢动物控制组合物，以及用于控制节肢动物的方法和用途，以及包含相同化合物的节肢动物控制物品。
• ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE
  申请人：Yu J. Ruey

  公开号：US20060251597A1

  公开（公告）日：2006-11-09

  This application discloses a composition comprising a malodor compound and an anti-odor ingredient effective for reducing the presence or production of malodor. The composition may be topically applied to a subject and is useful for cosmetic conditions, pharmaceutical indications, or other objectives.

  本申请公开了一种包含恶臭化合物和抑臭成分的组合物，用于减少恶臭的存在或产生。该组合物可以局部应用于一个对象，并且适用于化妆条件、药用指示或其他目的。
• INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD
  申请人：Wu Jie

  公开号：US20110190315A1

  公开（公告）日：2011-08-04

  The subject invention concerns methods and compounds for inhibiting Shp2. In one embodiment, a compound of the invention has a chemical structure as shown in formula I or II: wherein X, Y, and Z are independently N or S; R 1 is cycloalkyl, heterocycloalkyl, aryl, or heteroaryl, any of which can be optionally substituted with one or more of halogen; alkyl; heteroalkyl; —COOH; —C(R 3 ) 3 , wherein R 3 can independently be any of —H or halogen; or —OR 4 , wherein R 4 can be any of H, alkyl, or heteroalkyl; R 2 is alkyl, alkylcarbonyl, heteroalkylcarbonyl, aryl, arylcarbonyl, heterocycloalkylcarbonyl, cycloalkylcarbonyl, or —C(O)NR 6 R 7 , any of which can be optionally substituted with one or more of halogen; alkyl; heteroalkyl; carbonyl; —OR 4 , wherein R 4 can be —H, alkyl, or heteroalkyl; —OH; —C(R 3 ) 3 , wherein R 3 can independently be any of —H or halogen; aryl, which can be substituted with one or more of halogen or —OR 4 ; heterocycloalkyl; or —C(O)OR 5 , wherein R 5 can be —H or alkyl; R 6 and R 7 are independently —H, alkyl, heteroalkyl, aryl, or heteroaryl; and R′ is H or alkyl; or a pharmaceutically acceptable salt or hydrate thereof.

  本发明涉及用于抑制Shp2的方法和化合物。在一种实施例中，本发明的化合物具有如公式I或II所示的化学结构：其中X，Y和Z分别是N或S；R1是环烷基，杂环烷基，芳基或杂芳基，其中任何一个可以选择性地被一个或多个卤素；烷基；杂烷基；-COOH；-C（R3）3，其中R3可以独立地是-H或卤素；或-OR4，其中R4可以是H，烷基或杂烷基；R2是烷基，烷基羰基，杂烷基羰基，芳基，芳基羰基，杂环烷基羰基，环烷基羰基或-C（O）NR6R7，其中任何一个可以选择性地被一个或多个卤素；烷基；杂烷基；羰基；-OR4，其中R4可以是-H，烷基或杂烷基；-OH；-C（R3）3，其中R3可以独立地是-H或卤素；芳基，可以被一个或多个卤素或-OR4取代；杂环烷基；或-C（O）OR5，其中R5可以是-H或烷基；R6和R7独立地是-H，烷基，杂烷基，芳基或杂芳基；R'是H或烷基；或其药学上可接受的盐或水合物。
• METHODS FOR IDENTIFYING ARTHROPOD REPELLENTS, AND COMPOUNDS AND COMPOSITIONS IDENTIFIED BY SUCH METHODS
  申请人：The Regents of the University of California

  公开号：EP3409115A2

  公开（公告）日：2018-12-05

  Provided herein are screening methods for identifying compounds for use as an arthropod repellent based on the masking or inhibition of the detection of the skin odor by a cpA neuron. Provided herein are also screening methods for identifying compounds for use as an arthropod attractant based on activation of the cpA neuron. Further provided are one or more compounds identified using the screening methods described herein, and compositions containing such compounds.

  本文提供了根据掩蔽或抑制 cpA 神经元对皮肤气味的检测来确定用作节肢动物驱避剂的化合物的筛选方法。本文还提供了根据 cpA 神经元的激活来鉴定用作节肢动物吸引剂的化合物的筛选方法。此外，还提供了使用本文所述筛选方法鉴定出的一种或多种化合物，以及含有此类化合物的组合物。
• Methods for identifying arthropod repellents and attractants, and compounds and compositions identified by such methods
  申请人：The Regents of the University of California

  公开号：US10768168B2

  公开（公告）日：2020-09-08

  Provided herein are screening methods for identifying compounds for use as an arthropod repellent based on the masking or inhibition of the detection of the skin odor by a cpA neuron. Provided herein are also screening methods for identifying compounds for use as an arthropod attractant based on activation of the cpA neuron. Further provided are one or more compounds identified using the screening methods described herein, and compositions containing such compounds.

  本文提供了根据掩蔽或抑制 cpA 神经元对皮肤气味的检测来确定用作节肢动物驱避剂的化合物的筛选方法。本文还提供了根据 cpA 神经元的激活来鉴定用作节肢动物吸引剂的化合物的筛选方法。此外，还提供了使用本文所述筛选方法鉴定出的一种或多种化合物，以及含有此类化合物的组合物。