2-hydroxy-4-methyl-valeric acid amide | 4122-69-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-hydroxy-4-methyl-valeric acid amide
• 英文别名: 2-Hydroxy-4-methyl-valeriansaeure-amid；2-Hydroxy-4-methyl-valeramid；Inakt. α-Oxy-isobutylessigsaeure-amid；dl-Leucinsaeure-amid；2-Hydroxy-4-methyl-valeriansaeureamid；Leucamide；2-hydroxy-4-methylpentanamide
• CAS: 4122-69-4
• 化学式: C₆H₁₃NO₂
• 分子量: 131.175
• InChiKey: MNUXNVHQAFKNGV-UHFFFAOYSA-N

物化性质

• 熔点：
  81-82 °C
• 沸点：
  266.5±23.0 °C(Predicted)
• 密度：
  1.035±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-羟基-4-甲基-戊腈 在 盐酸 作用下， 以 乙醇 、 苯 为溶剂， 生成 2-hydroxy-4-methyl-valeric acid amide
  参考文献：
  名称：

  α-Hydroxy Acid Amides. A Convenient Synthesis

  摘要：

  DOI：

  10.1021/jo01046a534

文献信息

• PYRAZOLYL DERIVATIVES AS SYK INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20150191461A1

  公开（公告）日：2015-07-09

  The present invention provides novel pyrazole derivatives of formula I which are potent inhibitors of spleen tyrosine kinase, and are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD, rheumatoid arthritis, and cancer.

  本发明提供了公式I的新型吡唑衍生物，它们是脾酪氨酸激酶的有效抑制剂，并可用于治疗和预防由该酶介导的疾病，如哮喘、慢性阻塞性肺疾病、类风湿性关节炎和癌症。
• Catalytic dehydrative amide bond formation using aqueous ammonia: synthesis of primary amides utilizing diboronic acid anhydride catalysis
  作者：Naoya Takahashi、Hinata Iwasawa、Tatsuhito Kinashi、Kazuishi Makino、Naoyuki Shimada

  DOI：10.1039/d3cc02071a

  日期：——

  Although aqueous ammonia is an inexpensive and readily available safe source of ammonia, there have been no successful studies on direct catalytic dehydrative amidations of carboxylic acids with aqueous ammonia. In this study, we report a catalytic methodology for the synthesis of primary amides through diboronic acid anhydride (DBAA)-catalyzed dehydrative condensation of carboxylic acids with aqueous

  尽管氨水是一种廉价且容易获得的安全氨源，但目前还没有关于羧酸与氨水的直接催化脱水酰胺化的成功研究。在这项研究中，我们报告了一种通过二硼酸酐 (DBAA) 催化羧酸与氨水作为胺底物的脱水缩合来合成伯酰胺的催化方法。
• IRAK4 KINASE INHIBITOR AND PREPARATION METHOD THEREFOR
  申请人：Zhuhai Yufan Biotechnologies Co., Ltd

  公开号：EP4006028A1

  公开（公告）日：2022-06-01

  The present invention provides a compound of general formula I, and a pharmaceutically acceptable salt, a stereoisomer, an ester, a prodrug, a solvate and a deuterated compound thereof, wherein the compound is an IRAK4 kinase inhibitor, and can be used for preventing and/or treating diseases related to IRAK4, such as autoimmune diseases, inflammatory diseases, cancers, heteroimmune diseases, thromboembolism, atherosclerosis, myocardial infarction and metabolic syndrome.

  本发明提供了通式I的化合物及其药学上可接受的盐、立体异构体、酯、原药、溶媒和氘代化合物，其中该化合物为IRAK4激酶抑制剂，可用于预防和/或治疗与IRAK4相关的疾病，如自身免疫性疾病、炎症性疾病、癌症、异种免疫性疾病、血栓栓塞症、动脉粥样硬化、心肌梗塞和代谢综合征。
• Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases
  申请人：NUEVOLUTION A/S

  公开号：US10689383B2

  公开（公告）日：2020-06-23

  Disclosed are compounds of Formula I, which are active toward nuclear receptors such as nuclear retinoic acid receptor-related orphan receptors (RORs), pharmaceutical compositions containing the compounds of Formula I, and methods of treating inflammatory, metabolic, oncologic and autoimmune diseases or disorders using the of the compounds Formula I in therapy.

  公开了对核受体（如核视黄酸受体相关孤儿受体（RORs））具有活性的式 I 化合物、含有式 I 化合物的药物组合物，以及使用式 I 化合物治疗炎症、代谢、肿瘤和自身免疫性疾病或紊乱的方法。
• Additives for inhibiting gas hydrate formation
  申请人：Clariant GmbH

  公开号：US20030013614A1

  公开（公告）日：2003-01-16

  The invention relates to the use of compounds of the formula (1) 1 in which R 1 is C 1 - to C 24 -alkyl, C 2 - to C 24 -alkenyl or a C 6 - to C 18 -aryl radical which may be substituted by a C 1 - to C 12 -alkyl group, R 2 , R 3 independently of one another, are hydrogen, C 1 - to C 18 -alkyl, or C 5 - to C 7 -cycloalkyl, or R 2 and R 3 , including the nitrogen atom to which they are bonded, form a ring of 4 to 8 ring atoms, in which oxygen or nitrogen atoms may also be present in addition to carbon, A are identical or different C 2 - to C 4 -alkylene radicals, B is C 1 - to C 7 -alkylene, and n is an integer from 1-40, as gas hydrate inhibitors.

  本发明涉及式（1）化合物的用途 1 其中 R 1 是 C 1 - 至 C 24 -烷基、C 2 - 至 C 24 -烯基或 C 6 - 至 C 18 -芳基，可被 C 1 - 至 C 12 -烷基取代、 R 2 , R 3 分别为氢、C 1 - 至 C 18 -烷基，或 C 5 - 至 C 7 -环烷基，或 R 2 和 R 3 包括与之结合的氮原子，形成一个由 4 至 8 个环原子组成的环，其中除了碳原子外，还可能存在氧原子或氮原子、 A 是相同或不同的 C 2 - 至 C 4 -烯基、 B 是 C 1 - 至 C 7 -烷基，以及 n 是 1-40 之间的整数、 作为气体水合物抑制剂。