(3-乙基-5-甲基-1,2-恶唑-4-基)甲醇 | 53064-42-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: (3-乙基-5-甲基-1,2-恶唑-4-基)甲醇
• 英文名称: (3-ethyl-5-methylisoxazol-4-yl)methanol
• 英文别名: 3-Ethyl-4-hydroxymethyl-5-methylisoxazol；(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanol
• CAS: 53064-42-9
• 化学式: C₇H₁₁NO₂
• 分子量: 141.17
• InChiKey: GTRNETLYKHDQCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3-乙基-5-甲基-1,2-恶唑-4-基)甲醇 在 三溴化磷 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 4-(Bromomethyl)-3-ethyl-5-methyl-1,2-oxazole
  参考文献：
  名称：

  [EN] METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS
  [FR] MÉTHYLSULFANYLPYRIMIDINES UTILES EN TANT QU'AGENTS ANTI-INFLAMMATOIRES, ANALGÉSIQUES, ET ANTI-ÉPILEPTIQUES

  摘要：

  公开号：

  WO2010132999A8
• 作为产物：
  描述：

  C₈H₁₁NO₃ 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 (3-乙基-5-甲基-1,2-恶唑-4-基)甲醇
  参考文献：
  名称：

  Discovery and Biological Characterization of PRMT5:MEP50 Protein–Protein Interaction Inhibitors

  摘要：

  DOI：

  10.1021/acs.jmedchem.2c01000

文献信息

• [EN] COMPOUNDS AND METHODS<br/>[FR] COMPOSÉS ET MÉTHODES
  申请人：TEMPERO PHARMACEUTICALS INC

  公开号：WO2013019635A1

  公开（公告）日：2013-02-07

  The present invention relates to novel retinoid-reiated orphan receptor gamma (RORy) modulators and their use in the treatment of diseases mediated by RORy.

  本发明涉及新型视黄醇相关孤儿受体γ（RORγ）调节剂及其在治疗由RORγ介导的疾病中的应用。
• PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS
  申请人：Université Laval

  公开号：US20150225423A1

  公开（公告）日：2015-08-13

  The present invention features compounds having the Formula (Ia) and (Ib) (e.g., a compound of any of Formulas ((Ia-2)-(Ia-21)), including other tautomers, stereoisomers, E/Z stereoisomers, prodrugs, pharmaceutically acceptable salts, and compositions thereof. The invention also features methods for treating or preventing pain (e.g., neuropathic pain), inflammation, or epilepsy in a patient by administering an effective amount of a compound of Formula (Ia) or (Ib). The invention also features a method for treating or preventing pain (e.g., neuropathic pain), inflammation, or epilepsy in a patient that includes administering to a patient in need thereof an effective amount of a compound of Formula (IIa) or (IIb) (e.g., a compound of any of Formulas ((IIa-2)-(IIa-6)). The compounds described herein (e.g., a compound of Formulas (Ia), (Ib), (IIa), or (IIb)) can also be used as anticonvulsants.

  本发明涉及具有式(Ia)和(Ib)的化合物(例如，任何公式((Ia-2)-(Ia-21))的化合物，包括其他互变异构体、立体异构体、E/Z立体异构体、前药、药学上可接受的盐及其组合物。本发明还涉及通过给患者施用式(Ia)或(Ib)的化合物的有效量来治疗或预防疼痛(例如，神经痛)、炎症或癫痫的方法。本发明还涉及一种治疗或预防疼痛(例如，神经痛)、炎症或癫痫的方法，包括向需要的患者施用式(IIa)或(IIb)的化合物的有效量(例如，任何公式((IIa-2)-(IIa-6))的化合物)。本文所描述的化合物(例如，公式(Ia)、(Ib)、(IIa)或(IIb)的化合物)也可用作抗惊厥剂。
• [EN] METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS<br/>[FR] MÉTHYLSULFANYLPYRIMIDINES UTILES EN TANT QU'AGENTS ANTI-INFLAMMATOIRES, ANALGÉSIQUES, ET ANTI-ÉPILEPTIQUES
  申请人：CHLORION PHARMA INC

  公开号：WO2010132999A8

  公开（公告）日：2011-06-30
• SAR studies of C2 ethers of 2H-pyrano[2,3-d]pyrimidine-2,4,7(1H,3H)-triones as nicotinic acid receptor (NAR) agonist
  作者：Xianhai Huang、Jing Su、Ashwin U. Rao、Haiqun Tang、Wei Zhou、Xiaohong Zhu、Xiao Chen、Zhidan Liu、Ying Huang、Sylvia Degrado、Dong Xiao、Jun Qin、Robert Aslanian、Brian A. McKittrick、Scott Greenfeder、Margaret van Heek、Madhu Chintala、Anandan Palani

  DOI：10.1016/j.bmcl.2011.12.041

  日期：2012.1

  Based on in house screening lead compound 1 for the NAR project, SAR studies have been focused on the modification of the C2 ethers of the pyrimidinedione core structure. In this effort, an unpredictable SAR trend was overcome in the alkyl ether and arylalkyl ether series to identify compound 24 with improved in vitro activity compared to nicotinic acid. More consistent and predictable SAR was achieved in the propargyl ether series. Lead compound 41 was identified with good in vitro and in vivo activity in rat, and much improved rat PK profile. (C) 2011 Elsevier Ltd. All rights reserved.
• 3,5-Dialkyl-4-(phthalimidomethyl)isoxazoles, pyrazoles, and isothiazoles. Novel antiandrogens
  作者：John W. Scott、Alfred Boris

  DOI：10.1021/jm00263a023

  日期：1973.5