N-acetyl-L-valine amide | 37933-88-3

• 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-acetyl-L-valine amide
• 英文别名: N-acetyl-L-valineamide；N-acetyl valine amide；N-acetyl-L-valinamide；N-acetylvalinamide；Ac-Val-NH₂；Ac-val-nh2；(2S)-2-acetamido-3-methylbutanamide
• CAS: 37933-88-3
• 化学式: C₇H₁₄N₂O₂
• 分子量: 158.2
• InChiKey: WEHJKQHCMGQEEF-LURJTMIESA-N

物化性质

• 熔点：
  235.85°C
• 沸点：
  283.28°C (rough estimate)
• 密度：
  1.1414 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  72.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2924199090
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362,P403+P233,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  N-acetyl-L-valine amide 在 palladium(II) trifluoroacetate 、 二氯乙腈 、 水 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以91%的产率得到(S)-N-(1-cyano-2-methylpropyl)acetamide
  参考文献：
  名称：

  酰胺控制的酰胺转移至腈的转移脱水

  摘要：

  通过使用二氯乙腈作为水受体，在温和的水性条件下钯催化的伯酰胺脱水有效地进行为腈。设计该转移脱水催化的关键是确定一种有效的水受体二氯乙腈，该水受体在Pd催化剂的帮助下优先于酰胺而不是其他极性官能团反应，并使所需的反应体系趋于能动，从而驱动脱水。

  DOI：

  10.1021/acs.orglett.9b01657
• 作为产物：
  描述：

  N-乙酰基-L-缬氨酸甲酯 、 alkaline earth salt of/the/ methylsulfuric acid 以 甲醇 为溶剂， 生成 N-acetyl-L-valine amide
  参考文献：
  名称：

  含有氨基酸和肽的水溶液。第11部分。在298.15 K时稀释N-乙酰基甘氨酸酰胺，N-乙酰基-L-丙氨酸酰胺，N-乙酰基-L-缬氨酸酰胺和N-乙酰基-L-亮氨酸酰胺的单一和二元溶质溶液的稀释焓。

  摘要：

  含有N-乙酰基甘氨酸酰胺（G），N-乙酰基-L-丙氨酸酰胺（A），N-乙酰基-L-缬氨酸酰胺（V）和N-乙酰基-L的水溶液的稀释焓-亮氨酸酰胺（L）和G + A，G + V，G + L，A + V，A + L和V + L的等摩尔溶液的测量值是298.15K。相似（相似）和不同（相似）溶质相互作用的焓系数。这些系数已与Savage和Wood先前提出的组可加性方法的预测进行了比较。考虑到实验误差和原始相关性的标准偏差，小组加和法效果很好，尽管可能需要对小组交互参数进行一些改进。

  DOI：

  10.1039/f19807600915

文献信息

• [EN] ARGININE GINGIPAIN INHIBITORS<br/>[FR] INHIBITEURS DE L'ARGININE-GINGIPAÏNE
  申请人：CORTEXYME INC

  公开号：WO2020191348A1

  公开（公告）日：2020-09-24

  Therapeutics targeting the bacterium Porphyromonas gingivalis, including its proteases arginine gingipain A and arginine gingipain B, are disclosed, as well as the use thereof for the treatment of disorders associated with P. gingivalis infection, including brain disorders such as Alzheimer's disease. In certain embodiments, the invention provides compounds according to Formula I, Formula Ia, and Formula Ib, as described herein, and pharmaceutically acceptable salts thereof.

  揭示了针对细菌Porphyromonas gingivalis及其蛋白酶精氨酸龈蛋白A和精氨酸龈蛋白B的治疗方法，以及其用于治疗与P. gingivalis感染相关的疾病，包括脑部疾病如阿尔茨海默病。在某些实施例中，本发明提供了根据本文所述的Formula I、Formula Ia和Formula Ib的化合物，以及其药用可接受的盐。
• THERAPEUTIC COMPOUNDS AND USES THEREOF
  申请人：GENENTECH, INC.

  公开号：US20170340604A1

  公开（公告）日：2017-11-30

  The present invention relates to compounds of formula (I): and to salts thereof, wherein R 1 , R 2 , R c , and R d have any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of bromodomains. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various bromodomain-mediated disorders.
• PROTEIN-DRUG CONJUGATES COMPRISING CAMPTOTHECIN ANALOGS AND METHODS OF USE THEREOF
  申请人：REGENERON PHARMACEUTICALS, INC.

  公开号：US20220072141A1

  公开（公告）日：2022-03-10

  Described herein are protein-drug conjugates and compositions thereof that are useful, for example, for target-specific delivery of therapeutic moieties, e.g., camptothecin analogs and/or derivatives. In certain embodiments, provided are specific and efficient methods for producing protein-drug constructs (e.g., antibody-drug conjugates) utilizing a combination of transglutaminase and 1,3-cycloaddition techniques. Camptothecin analogs, antibody-drug conjugates, and compositions which comprise glutaminyl-modified antibodies and camptothecin analog payloads and are provided.
• ARGININE GINGIPAIN INHIBITORS
  申请人：Cortexyme, Inc.

  公开号：US20220204457A1

  公开（公告）日：2022-06-30

  Therapeutics targeting the bacterium Porphyromonas gingivalis, including its proteases arginine gingipain A and arginine gingipain B, are disclosed, as well as the use thereof for the treatment of disorders associated with P. gingivalis infection, including brain disorders such as Alzheimer's disease. In certain embodiments, the invention provides compounds according to Formula I, Formula Ia, and Formula Ib, as described herein, and pharmaceutically acceptable salts thereof.
• Acceptor-Controlled Transfer Dehydration of Amides to Nitriles
  作者：Hiroyuki Okabe、Asuka Naraoka、Takahiro Isogawa、Shunsuke Oishi、Hiroshi Naka

  DOI：10.1021/acs.orglett.9b01657

  日期：2019.6.21

  dehydration of primary amides to nitriles efficiently proceeds under mild, aqueous conditions via the use of dichloroacetonitrile as a water acceptor. A key to the design of this transfer dehydration catalysis is the identification of an efficient water acceptor, dichloroacetonitrile, that preferentially reacts with amides over other polar functional groups with the aid of the Pd catalyst and makes the desired

  通过使用二氯乙腈作为水受体，在温和的水性条件下钯催化的伯酰胺脱水有效地进行为腈。设计该转移脱水催化的关键是确定一种有效的水受体二氯乙腈，该水受体在Pd催化剂的帮助下优先于酰胺而不是其他极性官能团反应，并使所需的反应体系趋于能动，从而驱动脱水。