1,2,4a,5-tetrahydro-4H-benzo[b][1,4]oxazino[4,3-d][1,4]oxazin-8-amine

• 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: 1,2,4a,5-tetrahydro-4H-benzo[b][1,4]oxazino[4,3-d][1,4]oxazin-8-amine
• 英文别名: 2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine
• 化学式: C₁₁H₁₄N₂O₂
• 分子量: 206.244
• InChiKey: OKVOSZYBJOSPGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  47.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2,4a,5-tetrahydro-4H-benzo[b][1,4]oxazino[4,3-d][1,4]oxazin-8-amine 在 氢溴酸 、 sodium nitrite 、 copper(I) bromide 、 copper(ll) bromide 作用下， 以 水 为溶剂， 以46 %的产率得到8-bromo-1,2,4a,5-tetrahydro-4H-benzo[b][1,4]oxazino[4,3-d][1,4]oxazine
  参考文献：
  名称：

  Design, synthesis and biological evaluation of novel 1,2,4a,5-tetrahydro-4H-benzo[b][1,4]oxazino[4,3-d][1,4]oxazine-based AAK1 inhibitors with anti-viral property against SARS-CoV-2

  摘要：

  DOI：

  10.1016/j.ejmech.2024.116232
• 作为产物：
  描述：

  8-nitro-1,2,4a,5-tetrahydro-4H-benzo[b][1,4]oxazino[4,3-d][1,4]oxazine 在 铁粉 、 氯化铵 作用下， 以 乙醇 、 水 为溶剂， 以73 %的产率得到1,2,4a,5-tetrahydro-4H-benzo[b][1,4]oxazino[4,3-d][1,4]oxazin-8-amine
  参考文献：
  名称：

  Design, synthesis and biological evaluation of novel 1,2,4a,5-tetrahydro-4H-benzo[b][1,4]oxazino[4,3-d][1,4]oxazine-based AAK1 inhibitors with anti-viral property against SARS-CoV-2

  摘要：

  DOI：

  10.1016/j.ejmech.2024.116232

文献信息

• COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP
  申请人：Hangzhou Innogate Pharma Co., Ltd.

  公开号：US20190308993A1

  公开（公告）日：2019-10-10

  A class of compounds containing a tricyclic heteroaryl group is provided. Specifically, a compound of the structure represented by the following formula (I) (each group is as defined in the specification), a pharmaceutical composition containing the compound of the formula (I), and their isotope derivatives, chiral isomers, allosterics, different salts, prodrugs, preparations, etc, are provided. It can effectively inhibit protein kinases (such as EGFR, FAK, SYK, FLT-3, Axl, CDK, JAK, etc.), thereby treating various tumors, non-alcoholic liver disease (NASH), pulmonary fibrosis (IPF), and related variety of diseases.

  提供了一类含有三环杂环基团的化合物。具体来说，提供了结构如下式（I）所代表的化合物（每个基团如规范中定义），含有该式（I）化合物的药物组合物，以及它们的同位素衍生物、手性异构体、变构体、不同盐类、前药、制剂等。它可以有效抑制蛋白激酶（如EGFR、FAK、SYK、FLT-3、Axl、CDK、JAK等），从而治疗各种肿瘤、非酒精性脂肪肝病（NASH）、肺纤维化（IPF）和相关多种疾病。
• NOVEL KINASE INHIBITORS
  申请人：ORIGENIS GMBH

  公开号：US20150259340A1

  公开（公告）日：2015-09-17

  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.

  本发明涉及式（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。这些化合物可用于治疗各种疾病。这些疾病包括自身免疫性疾病、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、眼部疾病、传染病和与激素相关的疾病。
• 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。
• CONDENSED TRICYCLIC COMPOUND USED AS KINASE INHIBITOR
  申请人：Hangzhou Innogate Pharma Co., Ltd.

  公开号：US20220153766A1

  公开（公告）日：2022-05-19

  The present invention provides a class of compounds containing tricyclic heteroaryl groups. Specifically, the present invention provides compounds of the structure represented by the following formula (I) (the definition of each group is as described in the specification), pharmaceutical compositions containing the compounds of formula (I), as well as isotopic derivatives of these compounds, chiral isomers, allosteric forms, different salts, prodrugs, formulations, etc. The compounds of formula (I) can effectively inhibit protein kinases (including EGFR, EGFR (C797S), ALK, and HPK1, etc.), thereby playing a role in the treatment of various tumors.

  本发明提供了一类含有三环杂芳基团的化合物。具体来说，本发明提供了以下式子（I）所表示的结构的化合物（每个基团的定义如说明书所述），含有式子（I）化合物的制药组合物，以及这些化合物的同位素衍生物、手性异构体、异构形式、不同的盐、前药、配方等。式子（I）化合物可以有效抑制蛋白激酶（包括EGFR、EGFR（C797S）、ALK和HPK1等），从而在治疗各种肿瘤方面发挥作用。
• HETEROCYCLIC COMPOUND AS SYK INHIBITOR AND/OR SYK-HDAC DUAL INHIBITOR
  申请人：Hangzhou Innogate Pharma Co., Ltd.

  公开号：EP3553065A1

  公开（公告）日：2019-10-16

  A heterocyclic compound as a Syk inhibitor and/or a Syk-HDAC dual inhibitor, or pharmaceutically acceptable salts, prodrugs, deuterated derivatives, hydrates, and solvates thereof. Specifically, the present invention relates to a compound of formula (I), the compound having dual inhibitory activity for Syk and/or Syk-HDAC.

  一种作为 Syk 抑制剂和/或 Syk-HDAC 双重抑制剂的杂环化合物，或其药学上可接受的盐、原药、氘代衍生物、水合物和溶液。具体而言，本发明涉及一种式（I）化合物，该化合物对 Syk 和/或 Syk-HDAC 具有双重抑制活性。