8-氨基-1,3,4,5-四氢-苯并[b]氮杂革-2-酮 | 22246-76-0

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 中文名称: 8-氨基-1,3,4,5-四氢-苯并[b]氮杂革-2-酮
• 中文别名: 8-氨基-4,5-二氢-1H-苯并[b]氮杂环庚烷-2(3H)-酮；8-氨基-4,5-二氢-1H-苯并[B]氮杂卓-2(3H)-酮；8-氨基-1,3,4,5-四氢-2H-1-苯并氮杂卓-2-酮；7-硝基-1-萘满酮；8-氨基-2,3,4,5-四氢苯并[B]氮杂卓-2-酮
• 英文名称: 8-amino-4,5-dihydro-1H-benzo[b]-azepin-2(3H)-one
• 英文别名: 8-amino-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one；8-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
• CAS: 22246-76-0
• 化学式: C₁₀H₁₂N₂O
• mdl: MFCD04038431
• 分子量: 176.218
• InChiKey: XRJMPABWIZHNQA-UHFFFAOYSA-N

物化性质

• 沸点：
  409℃
• 密度：
  1.184
• 闪点：
  201℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  8-氨基-1,3,4,5-四氢-苯并[b]氮杂革-2-酮 在 tris-(dibenzylideneacetone)dipalladium(0) 、 palladium 10% on activated carbon 、 氢气 、 caesium carbonate 、 溶剂黄146 、 N,N-二异丙基乙胺 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 四氢呋喃 、 甲醇 、 乙二醇二甲醚 、 异丙醇 为溶剂， 25.0~140.0 ℃ 、344.75 kPa 条件下， 反应 96.5h， 生成 tert-butyl 3-(8-((2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)amino)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  [EN] HETEROCYCLIC BTK INHIBIT ORS
  [FR] INHIBITEURS DE TYROSINE KINASE DE BRUTON (BTK) HÉTÉROCYCLIQUE

  摘要：

  该发明提供了Formula (I)的化合物。其中变量被定义为E。这些化合物可用于治疗免疫和肿瘤疾病的条件。药学上可接受的盐、前药、生物活性代谢物、立体异构体和同分异构体。

  公开号：

  WO2015157955A1
• 作为产物：
  描述：

  8-硝基-1,3,4,5-四氢-2H-1-苯并吖庚因-2-酮 在 10% palladium on activated carbon 、 一水合肼 作用下， 以 乙醇 为溶剂， 生成 8-氨基-1,3,4,5-四氢-苯并[b]氮杂革-2-酮
  参考文献：
  名称：

  Fused bicyclic derivatives of 2,4-diaminopyrimidine as c-Met inhibitors

  摘要：

  The HGF-c-Met signaling axis is an important paracrine mediator of epithelial-mesenchymal cell interactions involving the regulation of multiple cellular activities including cell motility, mitogenesis, morphogenesis, and angiogenesis. Dysregulation of c-Met signaling (e. g., overexpression or increased activation) is associated with the development of a wide range of tumor types; thus, inhibiting the HGF-c-Met pathway is predicted to lead to anti-tumor effects in many cancers. Elaboration of a 2-arylaminopyrimidine scaffold led to a series of potent c-Met inhibitors bearing a C4-2-amino-N-methylbenzamide group. Specifically, a series of C2-benzazepinone analogs demonstrated potent inhibition of c-Met in enzymatic and cellular assays. Kinase selectivity could be tuned by varying the nature of the alkyl group on the benzazepinone nitrogen. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.045

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。
• [EN] PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL 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：WO2012143144A1

  公开（公告）日：2012-10-26

  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.

  本发明涉及一种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）或其突变体的化合物的新颖化合物（I）的公式。这些化合物在治疗各种疾病中发挥作用。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、传染病和与激素相关的疾病。
• [EN] CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF<br/>[FR] INHIBITEURS DE CAFÉINE DE MTHFD2 ET LEURS UTILISATIONS
  申请人：RAZE THERAPEUTICS INC

  公开号：WO2017106352A1

  公开（公告）日：2017-06-22

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用方法。
• [EN] NOVEL KINASE INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE KINASES
  申请人：ORIGENIS GMBH

  公开号：WO2014060113A1

  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.

  本发明涉及一种具有公式（I）的新化合物，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中发挥作用。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。
• 4-Alkyl-substituted diaminopyrimidines
  申请人：Greul Jörg Nico

  公开号：US20110230478A1

  公开（公告）日：2011-09-22

  Use of 4-alkyl-substituted diaminopyrimidines of the formula (I) as fungicide in which R 1 to R 13 and X 1 and X 2 have the meanings given in the description, and agrochemically active salts thereof, and also methods and compositions for controlling phytopathogenic harmful fungi in and/or on plants or in and/or on seed of plants, processes for preparing such compositions and treated seed and also their use for controlling phytopathogenic harmful fungi in agriculture, horticulture and forestry, in the protection of materials and in the domestic and hygiene field. The present invention furthermore relates to a process for preparing diaminopyrimidines of the formulae (Ia), (Ib) and (Ic).

  使用具有以下结构的4-烷基取代二氨基嘧啶化合物（I）作为杀菌剂，其中R1至R13和X1和X2的含义如描述中所述，以及其农药活性盐，以及用于在植物内部和/或表面或植物种子内部和/或表面控制植物病原真菌的方法和组合物，用于制备这种组合物和处理种子的过程，以及它们在农业、园艺和林业中控制植物病原真菌的用途，在材料保护以及家庭和卫生领域。此外，本发明还涉及制备具有以下结构的二氨基嘧啶化合物（Ia）、（Ib）和（Ic）的方法。