1,6-二氢-6-氧代-3-吡嗪羧醛 | 933734-91-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 1,6-二氢-6-氧代-3-吡嗪羧醛
• 中文别名: 3-甲酰-6-羟基哒嗪
• 英文名称: 3-formyl-6-hydroxypyridazine
• 英文别名: 6-Hydroxypyridazine-3-carboxaldehyde；6-oxo-1H-pyridazine-3-carbaldehyde
• CAS: 933734-91-9
• 化学式: C₅H₄N₂O₂
• 分子量: 124.099
• InChiKey: NRSDBRGRLFTCSW-UHFFFAOYSA-N

物化性质

• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H312,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  1,6-二氢-6-氧代-3-吡嗪羧醛 在 二氧化碳 、 caesium carbonate 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 34.42h， 生成 tert-butyl (R)-(1-(pyrimidin-2-yl)ethyl)((6-(2,2,2-trifluoroethoxy)pyridazin-3-yl)methyl)carbamate
  参考文献：
  名称：

  [EN] TRICYCLIC CARBOXAMIDE DERIVATIVES AS PRMT5 INHIBITORS
  [FR] DÉRIVÉS DE CARBOXAMIDE TRICYCLIQUES EN TANT QU'INHIBITEURS DE PRMT5

  摘要：

  本文描述了公式（I）的化合物及其药学上可接受的盐，以及其药物组成物。本发明的化合物可用于抑制PRMT5活性，并可用于治疗增殖性疾病，如癌症、代谢和血液疾病。公式（I）的化合物具有以下结构公式（I）。

  公开号：

  WO2022115377A1

文献信息

• [EN] NOVEL PRMT5 INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE PRMT5
  申请人：AMGEN INC

  公开号：WO2021163344A1

  公开（公告）日：2021-08-19

  Described herein are compounds of Formula I and pharmaceutically acceptable salt thereof, stereoisomers, tautomers as well as pharmaceutical compositions thereof. Compounds of the present invention are useful for inhibiting PRMT5 activity and may have use in treating proliferative, metabolic and blood disorders. Compounds of Formula I have the following structure: (I)

  本文描述了公式I的化合物及其药用盐、立体异构体、互变异构体以及其药用组合物。本发明的化合物对抑制PRMT5活性有用，并可能用于治疗增殖、代谢和血液疾病。公式I的化合物具有以下结构：(I)
• INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS
  申请人：Kaila Neelu

  公开号：US20110105509A1

  公开（公告）日：2011-05-05

  Disclosed are compounds of Formula (I): which are useful as antagonists of the CRTH2 receptors. Pharmaceutical compositions containing compounds of Formula (I) and the use of compounds of Formula (I) to treat diseases or disorders that are responsive to inhibition of the binding of endogenous ligands to the CRTH2 receptor are also disclosed. Methods for preparing and using these compounds are further described.

  公开的是以下化合物的结构（I）：这些化合物可用作CRTH2受体的拮抗剂。还公开了含有化合物（I）的药物组合物以及利用化合物（I）治疗对抑制内源配体与CRTH2受体结合响应的疾病或疾病的用途。进一步描述了制备和使用这些化合物的方法。
• Diazine Indole Acetic Acids as Potent, Selective, and Orally Bioavailable Antagonists of Chemoattractant Receptor Homologous Molecule Expressed on Th2 Cells (CRTH2) for the Treatment of Allergic Inflammatory Diseases
  作者：Neelu Kaila、Adrian Huang、Alessandro Moretto、Bruce Follows、Kristin Janz、Michael Lowe、Jennifer Thomason、Tarek S. Mansour、Cedric Hubeau、Karen Page、Paul Morgan、Susan Fish、Xin Xu、Cara Williams、Eddine Saiah

  DOI：10.1021/jm300007n

  日期：2012.6.14

  New classes of CRTH2 antagonists, the pyridazine linker containing indole acetic acids, are described. The initial hit 1 had good potency but poor permeability, metabolic stability, and PK. Initial optimization led to compounds of type 2 with low oxidative metabolism but poor oral bioavailability. Poor permeability was identified as a liability for these compounds. Addition of a linker between the indole and diazine moieties afforded a series with good potency, low rates of metabolism, moderate permeability, and good oral bioavailability in rodents, 32 was identified as the development track candidate. It was potent in cell based, binding, and whole blood assays and exhibited good PK profile. It was efficacious in mouse models of contact hypersensitivity (1 mg/kg b.i.d.) and house dust (20 mg/kg q.d.) when dosed orally. In sheep asthma, administration at 1 mg/kg iv completely blocked the LAR and AHR and attenuated the EAR phase.
• [EN] TRICYCLIC CARBOXAMIDE DERIVATIVES AS PRMT5 INHIBITORS<br/>[FR] DÉRIVÉS DE CARBOXAMIDE TRICYCLIQUES EN TANT QU'INHIBITEURS DE PRMT5
  申请人：AMGEN INC

  公开号：WO2022115377A1

  公开（公告）日：2022-06-02

  Described herein are compounds of Formula (I) and pharmaceutically acceptable salts thereof, as well as pharmaceutical compositions thereof. Compounds of the present invention are useful for inhibiting PRMT5 activity and may have use in treating proliferative, such as cancer, metabolic and blood disorders. Compounds of Formula (I) have the following structure of Formule (I).

  本文描述了公式（I）的化合物及其药学上可接受的盐，以及其药物组成物。本发明的化合物可用于抑制PRMT5活性，并可用于治疗增殖性疾病，如癌症、代谢和血液疾病。公式（I）的化合物具有以下结构公式（I）。