6-methanesulfinyl[1,3]diazino[5,4-d]pyrimidin-4-ol | 176637-91-5

• 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: 6-methanesulfinyl[1,3]diazino[5,4-d]pyrimidin-4-ol
• 英文别名: 6-(Methylsulfinyl)pyrimido[5,4-d]pyrimidin-4(3h)-one；2-methylsulfinyl-7H-pyrimido[5,4-d]pyrimidin-8-one
• CAS: 176637-91-5
• 化学式: C₇H₆N₄O₂S
• 分子量: 210.216
• InChiKey: QJPAVMLIPJGXBQ-UHFFFAOYSA-N

物化性质

• 沸点：
  551.2±60.0 °C(Predicted)
• 密度：
  1.86±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-methanesulfinyl[1,3]diazino[5,4-d]pyrimidin-4-ol 在 氯化亚砜 作用下， 以 吗啉 、 二氯甲烷 为溶剂， 生成 4-chloro-6-(morpholino)pyrimido[5,4-d]pyrimidine
  参考文献：
  名称：

  Pyrimido\x9b5,4!-dipyrimidines, pharmaceuticals containing them, their use

  摘要：

  翻译结果如下： 具有一般公式##STR1##的嘧啶[5,4-d]嘧啶类化合物，对酪氨酸激酶介导的信号转导具有抑制作用，用于治疗疾病，尤其是肿瘤，以及其制备方法。示例性化合物包括：4-[3-氯-4-氟苯基)氨基]-6-[1-甲基-4-哌啶基氨基]嘧啶[5,4-d]嘧啶，以及4-[3-氯-4-氟苯基)氨基]-6-[反式-4-二甲基氨基环己基氨基]嘧啶[5,4-d]嘧啶。

  公开号：

  US05821240A1

文献信息

• Pyrimido\x9b5,4!-dipyrimidines, pharmaceuticals containing them, their use
  申请人：Dr. Karl Thomae GmbH

  公开号：US05821240A1

  公开（公告）日：1998-10-13

  Pyrimido\x9b5,4-d!pyrimidines of the general formula ##STR1## which have an inhibitory effect on signal transduction mediated by tyrosine kinases, their use for the treatment of disorders, in particular of oncoses, and their preparation. Exemplary compounds are: 4-\x9b(3-Chloro-4-fluorophenyl)amino!-6-\x9b1-methyl-4-piperidinylamino!pyrimido\x9b 5,4-d!pyrimidine, and 4-\x9b(3-Chloro-4-fluorophenyl)amino!-6-\x9btrans-4-dimethyl-aminocycohexylamino! pyrimido\x9b5,4-d!pyrimidine.

  翻译结果如下： 具有一般公式##STR1##的嘧啶[5,4-d]嘧啶类化合物，对酪氨酸激酶介导的信号转导具有抑制作用，用于治疗疾病，尤其是肿瘤，以及其制备方法。示例性化合物包括：4-[3-氯-4-氟苯基)氨基]-6-[1-甲基-4-哌啶基氨基]嘧啶[5,4-d]嘧啶，以及4-[3-氯-4-氟苯基)氨基]-6-[反式-4-二甲基氨基环己基氨基]嘧啶[5,4-d]嘧啶。
• [EN] [1,3]DIAZINO[5,4-D]PYRIMIDINES AS HER2 INHIBITORS<br/>[FR] [1,3]DIAZINO[5,4-D]PYRIMIDINES UTILISÉS EN TANT QU'INHIBITEURS DE HER2
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2021156178A1

  公开（公告）日：2021-08-12

  The present invention relates to new [1,3]diazino[5,4-d]pyrimidines and derivatives of Formula (I) wherein the groups R1, R2, R3 and R4 have the meanings given in the claims and specification, their use as inhibitors of HER2 and its mutants, pharmaceutical compositions which contain such compounds and their use as medicaments, especially as agents for treatment and/or prevention of oncological diseases.

  本发明涉及新的[1,3]二氮杂[5,4-d]嘧啶和式(I)的衍生物，其中基团R1、R2、R3和R4的含义如权利要求和说明书中所述，它们作为HER2及其突变体的抑制剂的用途，含有这种化合物的药物组合物以及它们作为药物的用途，特别是作为治疗和/或预防肿瘤疾病的药剂。
• Pyrimido\x9b5,4-D!pyrimidines, medicaments comprising these compounds,
  申请人：Dr. Karl Thomae GmbH

  公开号：US05707989A1

  公开（公告）日：1998-01-13

  The present invention relates to pyrimido\x9b5,4-d!pyrimidines of the general formula ##STR1## in which R.sub.a to R.sub.c are as defined herein, their tautomers, their stereoisomers and their salts, in particular their physiologically tolerated salts with inorganic or organic acids or bases which have valuable pharmacological properties, in particular an inhibiting action on signal transduction mediated by tyrosine kinases, their use for the treatment of diseases, in particular tumor diseases.

  本发明涉及一般式为##STR1##的嘧啶并[5,4-d]嘧啶化合物，其中R.sub.a至R.sub.c如本文所定义，它们的互变异构体、立体异构体及其盐，特别是它们与无机或有机酸或碱形成的生理耐受盐，具有有价值的药理学性质，特别是对酪氨酸激酶介导的信号转导具有抑制作用，它们用于治疗疾病，特别是肿瘤疾病。
• [EN] [1,3]DIAZINO[5,4-d]PYRIMIDINES AS HER2 INHIBITORS<br/>[FR] [1,3]DIAZINO[5,4-D]PYRIMIDINES EN TANT QU'INHIBITEURS DE HER2
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2021213800A1

  公开（公告）日：2021-10-28

  The present invention relates to new [1,3]diazino[5,4-d]pyrimidines and derivatives of Formula (I), wherein the groups R1, R2, R3 and R4 have the meanings given in the claims and specification, their use as inhibitors of HER2 and its mutants, pharmaceutical compositions which contain such compounds and their use as medicaments, especially as agents for treatment and/or prevention of oncological diseases.

  本发明涉及新的[1,3]二氮杂[5,4-d]嘧啶及其衍生物的化合物，其化学式为(I)，其中基团R1，R2，R3和R4的含义如权利要求和说明书所述，其用作HER2及其突变体的抑制剂，包含这类化合物的制药组合物以及其用作药物，特别是用作治疗和/或预防肿瘤性疾病的药物。
• [EN] [1,3]DIAZINO[5,4-D]PYRIMIDINES AS HER2 INHIBITORS<br/>[FR] [1,3]DIAZINO[5,4-D]PYRIMIDINES UTILISÉES EN TANT QU'INHIBITEURS DE HER2
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2021156180A1

  公开（公告）日：2021-08-12

  The present invention relates to new [1,3]diazino[5,4-d]pyrimidines and derivatives of Formula (I) wherein the groups R1, R2, R3 and R4 have the meanings given in the claims and specification, their use as inhibitors of HER2 and its mutants, pharmaceutical compositions which contain such compounds and their use as medicaments, especially as agents for treatment and/or prevention of oncological diseases.

  本发明涉及新的[1,3]二氮杂[5,4-d]嘧啶及其衍生物的公式（I），其中R1、R2、R3和R4基团具有权利要求书和说明书中所给的含义，它们作为HER2及其突变体的抑制剂的用途，包含这些化合物的制药组合物以及它们作为药物的用途，特别是作为治疗和/或预防肿瘤疾病的药剂。