2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbaldehyde | 221311-44-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbaldehyde
• 英文别名: 6-formyl-2-methyl-2H-1,4-benzoxazin-3(4H)-one；6-formyl-2-methyl-2H-1,4-benzoxazin-3-one；2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbaldehyde
• CAS: 221311-44-0
• 化学式: C₁₀H₉NO₃
• 分子量: 191.186
• InChiKey: HOJDHYZTFHESMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-噻吩甲胺 、 2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbaldehyde 在 钾硼氢 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 3.5h， 以86%的产率得到6-((thien-2-yl)-methylaminomethyl)-2-methyl-1,4-benzoxazin-3-one
  参考文献：
  名称：

  Benzoxazine and benzothiazine derivatives and their use in pharmaceuticals

  摘要：

  本文描述了我在此定义的式I的苯并噁嗪和苯并噻嗪化合物，以及它们的制备方法和基于它们作为一氧化氮合酶（NOS）抑制剂的药物使用方法。

  公开号：

  US06365736B1
• 作为产物：
  描述：

  4-羟基-3-硝基苯甲醛 在 铁粉 、 potassium carbonate 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbaldehyde
  参考文献：
  名称：

  Discovery of novel benzo[b][1,4]oxazin-3(4H)-ones as poly(ADP-ribose)polymerase inhibitors

  摘要：

  Structure based drug design of a series of novel 1,4-benzoxazin-3-one derived PARP-1 inhibitors are described. The synthesis, enzymatic 82 cellular activities and pharmacodynamic effects are described. Optimized analogs demonstrated inhibition of poly-ADP-ribosylation in SW620 tumor bearing nude mice through 24 h following a single dose. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.06.055

文献信息

• Benzoxazine and benzothiazine derivatives and the use thereof in medicaments
  申请人：——

  公开号：US20040006075A1

  公开（公告）日：2004-01-08

  Compounds of formula I, their tautomeric and isomeric forms and salts, 1 as well as the process for their production and their use in pharmaceutical agents are described.

  公式I的化合物，它们的互变异构体和同分异构体以及盐，以及它们的生产过程和在制药剂中的应用被描述。
• [EN] PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS<br/>[FR] PYRAZOLO[4,3-D]PYRIMIDINES UTILES EN TANT QU'INHIBITEURS DE KINASES
  申请人：ORIGENIS GMBH

  公开号：WO2014060112A1

  公开（公告）日：2014-04-24

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.

  本发明涉及具有式（I）的新化合物，其能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复的激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体。这些化合物可用于治疗多种疾病。这些疾病包括自身免疫疾病、炎症性疾病、骨疾病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼部疾病、传染病和激素相关疾病。
• POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS
  申请人：Brown Jason W.

  公开号：US20120094992A1

  公开（公告）日：2012-04-19

  Compounds of the following formula are provided for use in inhibiting Poly (ADP-ribose) Polymerase (PARP): wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds, methods and intermediates useful for making the compounds, and methods of using the compounds.

  以下式子的化合物被提供用于抑制Poly (ADP-ribose) Polymerase (PARP)的作用： 其中变量在此定义。还提供了制备该化合物的药物组合物、工具箱和制造品、中间体的方法以及使用该化合物的方法。
• Poly (ADP-ribose) polymerase (PARP) inhibitors
  申请人：Brown Jason W.

  公开号：US08669249B2

  公开（公告）日：2014-03-11

  Compounds of the following formula are provided for use in inhibiting Poly (ADP-ribose) Polymerase (PARP): wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds, methods and intermediates useful for making the compounds, and methods of using the compounds.

  以下公式的化合物被提供用于抑制Poly (ADP-ribose) Polymerase (PARP)的使用：其中变量在此定义。还提供了包含这些化合物的药物组合物、工具包和制造物品，以及制造这些化合物有用的方法和中间体，以及使用这些化合物的方法。
• PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS
  申请人：ORIGENIS GMBH

  公开号：US20150266882A1

  公开（公告）日：2015-09-24

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.

  本发明涉及化合物(I)的新型化合物，能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复的激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体。这些化合物在治疗多种疾病方面有应用。这些疾病包括自身免疫疾病、炎症性疾病、骨病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼病、传染病和激素相关疾病。