3,5-diethyl-4-methylisoxazole | 24106-65-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,5-diethyl-4-methylisoxazole
• 英文别名: 3,5-Diaethyl-4-methyl-isoxazol；3,5-Diethyl-4-methyl-isoxazol；3,5-Diethyl-4-methyl-1,2-oxazole
• CAS: 24106-65-8
• 化学式: C₈H₁₃NO
• 分子量: 139.197
• InChiKey: WHZPZISMYRCZJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-methylbenzensulfonyl)-4-phenyl-1H-1,2,3-triazole 、 3,5-diethyl-4-methylisoxazole 在 rhodium(II) pivalate 作用下， 以 甲苯 为溶剂， 以90%的产率得到1-(3-ethyl-2-methyl-5-phenyl-1-(4-methylphenylsulfonyl)-1,2-dihydropyrazin-2-yl)propan-1-one
  参考文献：
  名称：

  通过级联杂多烯重排铑催化合成2-芳酰基嘧啶

  摘要：

  通过 1-tosyl-1,2,3-triazoles 与 isooxazoles 在铑催化下的脱氮反应一步合成细胞毒性 2-aroylpyrimidines。根据密度泛函理论计算和控制实验，所公开的反应通过氧二氮杂四烯中间体的重排进行，涉及分子内氮杂-Diels-Alder和逆氮杂-Diels-Alder反应的级联反应。在异恶唑的 C4 上存在取代基是形成嘧啶的先决条件。

  DOI：

  10.1021/acs.orglett.1c02706

文献信息

• [EN] FUSED 1,4-OXAZEPINES AS BET PROTEIN DEGRADERS<br/>[FR] 1,4-OXAZÉPINES FUSIONNÉES UTILISÉES COMME AGENTS DE DÉGRADATION DE PROTÉINES BET
  申请人：UNIV MICHIGAN REGENTS

  公开号：WO2018052945A1

  公开（公告）日：2018-03-22

  The present disclosure provides compounds represented by Formula I and the pharmaceutically acceptable salts, hydrates, and solvates thereof, wherein R1, R2a, R2b, R3a, R3b, R4, Ar, L, X, Y, and B are as defined as set forth in the specification. The present disclosure also provids compounds of Formula I for use to treat a condition or disorder responsive to degradation of BET bromodomains such as cancer.

  本公开提供由式I表示的化合物及其药用可接受的盐、水合物和溶剂化合物，其中R1、R2a、R2b、R3a、R3b、R4、Ar、L、X、Y和B的定义如规范中所述。本公开还提供了式I的化合物，用于治疗对BET溴结构域降解敏感的疾病或疾病，如癌症。
• [EN] BET BROMODOMAIN PROTEIN DEGRADERS WITH CLEAVABLE LINKERS<br/>[FR] AGENTS DE DÉGRADATION DE PROTÉINE DE BROMODOMAINE BET AVEC DES LIEURS CLIVABLES
  申请人：UNIV MICHIGAN REGENTS

  公开号：WO2019055444A1

  公开（公告）日：2019-03-21

  The present disclosure provides compounds represented by Formula (I): Formula (I) and the pharmaceutically acceptable salts and solvates thereof, wherein R1, R2a, R2b, R3a, R3b, R4, Y, =, Ar, W, L, and B are as defined as set forth in the specification. The present disclosure also provides compounds of Formula (I)I for use to treat a condition or disorder responsive to inhibition and/or degradation of BET bromodomains such as cancer.

  本公开提供由Formula (I)表示的化合物：Formula (I)及其药用可接受的盐和溶剂，其中R1、R2a、R2b、R3a、R3b、R4、Y、=、Ar、W、L和B的定义如规范中所述。本公开还提供Formula (I)的化合物，用于治疗对BET溴结构域的抑制和/或降解敏感的疾病或疾病，如癌症。
• [EN] FUSED 1,4-DIAZEPINES AS BET PROTEIN DEGRADERS<br/>[FR] 1,4-DIAZÉPINES FUSIONNÉES EN TANT QU'AGENTS DE DÉGRADATION DE PROTÉINES BET
  申请人：UNIV MICHIGAN REGENTS

  公开号：WO2018052949A1

  公开（公告）日：2018-03-22

  The present disclosure provides compounds represented by Formula I: I, and the pharmaceutically acceptable salts, hydrates, and solvates thereof, wherein R1, R2a, R2b, R3, R4, Ar, L, X, Y, and B are as defined as set forth in the specification. The present disclosure also provides compounds of Formula I for use to treat a condition or disorder responsive to degradation of BET bromodomains such as cancer.

  本公开提供由式I表示的化合物：I，及其药用可接受的盐、水合物和溶剂合物，其中R1、R2a、R2b、R3、R4、Ar、L、X、Y和B的定义如规范中所述。本公开还提供用于治疗对BET溴结构域降解敏感的疾病或疾病的式I化合物，如癌症。
• [EN] MONOFUNCTIONAL INTERMEDIATES FOR LIGAND-DEPENDENT TARGET PROTEIN DEGRADATION<br/>[FR] INTERMÉDIAIRES MONOFONCTIONNELS POUR LA DÉGRADATION D'UNE PROTÉINE CIBLE DÉPENDANTE DU LIGAND
  申请人：UNIV MICHIGAN REGENTS

  公开号：WO2017176958A1

  公开（公告）日：2017-10-12

  The present disclosure provides compounds represented by Formula I: and the salts or solvates thereof, wherein X, L, Y, and B are as defined in the specification. Compounds having Formula I are immunomodulators and/or monofunctional synthetic intermediates that can be used to prepare small-molecule drug conjugates.

  本公开提供了由式I表示的化合物及其盐或溶剂合物，其中X、L、Y和B如规范中所定义。具有式I的化合物是免疫调节剂和/或可用于制备小分子药物共轭物的单功能合成中间体。
• [EN] FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS<br/>[FR] 1,4-OXAZEPINES CONDENSÉES ET LEURS ANALOGUES ASSOCIÉS EN TANT QU'INHIBITEURS DE BROMODOMAINE BET
  申请人：UNIV MICHIGAN REGENTS

  公开号：WO2017142881A1

  公开（公告）日：2017-08-24

  The present disclosure provides fused 1,4-oxazepines and related analogs represented by Formula (I) and the pharmaceutically acceptable salts, hydrates, and solvates thereof, wherein R1, R2a, R2b, R3a, R3b, R4, R5, A, and Y are as defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula (I) to treat a condition or disorder responsive to inhibition of BET bromodomains such as cancer.

  本发明公开了式(I)表示的融合1,4-噁嗪和相关类似物及其药学上可接受的盐、水合物和溶剂化物，其中R1、R2a、R2b、R3a、R3b、R4、R5、A和Y的定义如说明书中所述。本发明还涉及式(I)化合物用于治疗对BET溴结构域抑制有反应的病症或疾病，如癌症的用途。