5-bromo-6-chloro-3-methyl-3,4-dihydropyrimidin-4-one | 117113-95-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-bromo-6-chloro-3-methyl-3,4-dihydropyrimidin-4-one
• 英文别名: 5-bromo-6-chloro-3-methyl-4(3H)-pyrimidinone；5-Bromo-6-chloro-3-methylpyrimidin-4(3H)-one；5-bromo-6-chloro-3-methylpyrimidin-4-one
• CAS: 117113-95-8
• 化学式: C₅H₄BrClN₂O
• 分子量: 223.457
• InChiKey: XMHSPMGZLBXATO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-bromo-6-chloro-3-methyl-3,4-dihydropyrimidin-4-one 、 4-(三氟甲基)苄醇 以 1,4-二氧六环 、 mineral oil 为溶剂， 生成 5-bromo-6-(4'-trifluoromethylbenzyloxy)-3-methyl-4(3H)-pyrimidinone
  参考文献：
  名称：

  Nitrogen-containing heterocyclic compounds and compositions for controlling and/or preventing pests and blights (diseases)

  摘要：

  一种含氮杂环化合物，化学式如下：其中D代表-N = 或，E代表= N-，G代表-N =，但当G代表-N =或-G和E之间的键为双键时；G代表其键为单键，但忽略D代表E代表和G代表-N =的情况（R1、R2、R9、R10、X、Y、A和Q在说明书中有具体规定），以及用于控制和/或预防害虫和病害的组合物，该组合物含有一种或两种或更多的上述化合物作为活性成分。

  公开号：

  EP0339105A1

文献信息

• Nitrogen-containing heterocyclic compounds and compositions for controlling and/or preventing pests and blights (diseases)
  申请人：NISSAN CHEMICAL INDUSTRIES LTD.

  公开号：EP0339105A1

  公开（公告）日：1989-11-02

  A nitrogen-containing heterocyclic compound of the following formula: wherein D represents -N = or , E represents = N-, G represents -N =, with proviso that when G represents -N = or - the bond of G and E is double bond; and G represents the bond thereof is a single bond, but the case that D represents E represents and G represents -N = is omitted (R1, R2, R9, R10, X, Y, A and Q are specified in the specification), as well as compositions for controlling and/or preventing pests and blights, said compositions containing one or two or more of said compounds as an active ingredient.

  一种含氮杂环化合物，化学式如下：其中D代表-N = 或，E代表= N-，G代表-N =，但当G代表-N =或-G和E之间的键为双键时；G代表其键为单键，但忽略D代表E代表和G代表-N =的情况（R1、R2、R9、R10、X、Y、A和Q在说明书中有具体规定），以及用于控制和/或预防害虫和病害的组合物，该组合物含有一种或两种或更多的上述化合物作为活性成分。
• US4908379A
  申请人：——

  公开号：US4908379A

  公开（公告）日：1990-03-13
• [EN] PROTACS FOR TARGETED DEGRADATION OF KAT2A AND KAT2B FOR THE TREATMENT OF CANCER<br/>[FR] PROTAC POUR LA DÉGRADATION CIBLÉE DE KAT2A ET DE KAT2B POUR LE TRAITEMENT DU CANCER
  申请人：[en]UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED

  公开号：WO2024003533A1

  公开（公告）日：2024-01-04

  The present invention relates to bifunctional compounds (PROTACs) of formula (I) that target the degradation of KAT2A and KAT2B, their manufacture, pharmaceutical compositions comprising the compounds and the compounds for use as medicaments. The compounds of the invention are useful in the treatment of diseases and medical conditions associated with KAT2A and KAT2B, including, for example, cancer, autoimmune conditions, and inflammatory conditions.
• Nitrogen-containing heterocyclic compounds and compositions for
  申请人：Nissan Chemical Industries Ltd.

  公开号：US04908379A1

  公开（公告）日：1990-03-13

  A nitrogen-containing heterocyclic compound of the following formula: ##STR1## wherein D represents --N.dbd. or ##STR2## E represents .dbd.N--, ##STR3## G represents --N.dbd., ##STR4## with proviso that when G represents --N.dbd. or ##STR5## the bond of G and E is double bond; and G represents ##STR6## the bond thereof is a single bond, but the case that D represents ##STR7## E represents ##STR8## and G represents --N.dbd. is omitted (R.sup.1, R.sup.2, R.sup.9, R.sup.10, X, Y, A and Q are specified in the specification), as well as compositions for controlling and/or preventing pests and blights, said compositions containing one or two or more of said compounds as an active ingredient.

  一种含氮杂环化合物，其化学式如下：##STR1## 其中D表示--N.dbd.或##STR2## E表示.dbd.N--，##STR3## G表示--N.dbd.，##STR4## 但前提是当G表示--N.dbd.或##STR5##时，G和E之间的键是双键；当G表示##STR6##时，其键是单键，但省略了D表示##STR7##，E表示##STR8##，G表示--N.dbd.的情况（R.sup.1，R.sup.2，R.sup.9，R.sup.10，X，Y，A和Q在规范中指定），以及用于控制和/或预防害虫和病害的组合物，其含有一种或两种或更多的该化合物作为活性成分。