6-氨基-2,2-二甲基-2H-吡啶[3,2-B][1,4]恶嗪-3(4H)-酮 | 1002726-62-6

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 6-氨基-2,2-二甲基-2H-吡啶[3,2-B][1,4]恶嗪-3(4H)-酮
• 中文别名: 6-氨基-2,2-二甲基-2H-吡啶并3,2-b1,4噁嗪-3(4H)-酮
• 英文名称: 6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
• 英文别名: 6-amino-2,2-dimethyl-2H-pyrid[3,2-b][1,4]oxazin-3-(4H)-one；6-amino-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazine-3(4H)-one；6-amino-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
• CAS: 1002726-62-6
• 化学式: C₉H₁₁N₃O₂
• mdl: MFCD10000812
• 分子量: 193.205
• InChiKey: HSYOWUOUDXDSMC-UHFFFAOYSA-N

物化性质

• 沸点：
  420.3±45.0 °C(Predicted)
• 密度：
  1.256
• 闪点：
  208

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  77.2
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  6-氨基-2,2-二甲基-2H-吡啶[3,2-B][1,4]恶嗪-3(4H)-酮 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 2,2-dimethyl-6-((4-((3,4,5-trimethoxyphenyl)amino)-1,3,5-triazine-2-yl)amino)-2H-pyrido[3,2-b][1,4]oxazine-3(4H)-one
  参考文献：
  名称：

  Rational design and synthesis of novel Syk-kinase inhibitors

  摘要：

  Molecular modeling and subsequent synthesis of novel Syk-kinase inhibitors, 7H-pyrrolo[2,3-d]pyrimidine and 1,3,5-triazine derivatives, have been carried out. The best of the obtained compounds demonstrated to inhibit Syk-kinase activity at IC50 = 230 +/- 10 nM.

  DOI：

  10.1016/j.mencom.2012.03.006

文献信息

• [EN] FURO[3,2-d]PYRIMIDINE COMPOUNDS<br/>[FR] COMPOSÉS DE FURO[3,2-D]PYRIMIDINE
  申请人：ABBOTT LAB

  公开号：WO2012048222A1

  公开（公告）日：2012-04-12

  The present invention is directed to novel compounds of Formula (I), pharmaceutically acceptable salts, biologically active metabolites, pro-drugs, racemates, enantiomers, diastereomers, solvates and hydrates thereof wherein the variables are defined as herein. The compounds of Formula (I) are useful as kinase inhibitors and as such would be useful in treating certain conditions and diseases, especially inflammatory conditions and diseases and proliferative disorders and conditions, for example, cancers.

  本发明涉及式(I)的新化合物、药用可接受的盐、生物活性代谢物、前药、外消旋混合物、对映异构体、非对映异构体、溶剂合物和水合物，其中变量如本文所述定义。式(I)的化合物作为激酶抑制剂是有用的，因此可用于治疗某些状况和疾病，特别是炎症状况和疾病以及增殖性障碍和状况，例如癌症。
• Pharmaceutical Process and Intermediates
  申请人：McKeever Benedict

  公开号：US20150175639A1

  公开（公告）日：2015-06-25

  The present disclosure provides for processes and intermediates in the large-scale manufacture of the compound of formula (I) or hydrates thereof.

  本公开提供了用于大规模制造化合物I的工艺和中间体，或其水合物。
• [EN] TRIAZOLOPYRAZINE DERIVATIVES<br/>[FR] DÉRIVÉS TRIAZOLOPYRAZINE
  申请人：MERCK PATENT GMBH

  公开号：WO2012025186A1

  公开（公告）日：2012-03-01

  Compounds of the formula I in which R1 and R2 have the meanings indicated in Claim 1, are inhibitors of Syk, and can be employed, inter alia, for the treatment rheumatoid arthritis.

  具有公式I的化合物，在其中R1和R2具有权利要求1中指示的含义，是Syk的抑制剂，可以用于治疗风湿性关节炎。
• Deuterated 2, 4-Pyrimidinediamine Compounds and Prodrugs Thereof and Their Uses
  申请人：Bhamidipati Somasekhar

  公开号：US20110015155A1

  公开（公告）日：2011-01-20

  The present disclosure provides biologically active deuterated 2,4-pyrimidinediamine compounds and prodrugs thereof, compositions comprising the deuterated compounds, intermediates and methods for synthesizing the deuterated compounds and methods of using the deuterated compounds in a variety of applications.

  本公开提供了生物活性的氘代2,4-嘧啶二胺化合物及其前药，包含该氘代化合物的组合物，中间体以及合成该氘代化合物的方法和在各种应用中使用该氘代化合物的方法。
• [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。