舒尼替尼甲酰胺杂质 | 1186651-51-3

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 舒尼替尼甲酰胺杂质
• 中文别名: 舒尼替尼杂质；舒尼替尼杂质I；(6-甲基-2-氧代-4-六氢-嘧啶基)脲
• 英文名称: (Z)-5-((5-fluoro-2-oxoindolin-3-ylidene)Methyl)-2,4-diMethyl-1H-pyrrole-3-carboxaMide
• 英文别名: 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• CAS: 1186651-51-3
• 化学式: C₁₆H₁₄FN₃O₂
• 分子量: 299.3
• InChiKey: WAHDFFHPBSCPOQ-WDZFZDKYSA-N

物化性质

• 沸点：
  504.8±50.0 °C(Predicted)
• 密度：
  1.407±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  88
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• [EN] 3-(4-AMIDOPYRROL-2-YLMETHLIDENE)-2-INDOLINONE DERIVATIVES AS MULTI-TARGET PROTEIN KINASE INHIBITORS AND HISTONE DEACETYLASE INHIBITORS<br/>[FR] DÉRIVÉS DE 3-(4-AMIDOPYRROL-2-YLMÉTHYLIDÈNE)-2-INDOLINONE COMME INHIBITEURS DE PROTÉINE KINASE ET INHIBITEURS D'HISTONE DÉSACÉTYLASE MULTI-CIBLES
  申请人：SHENZEN CHIPSCREEN BIOSCIENCE

  公开号：WO2009014941A1

  公开（公告）日：2009-01-29

  Isolated compounds of formula (I): and stereoisomers, enantiomers, diastereomers, and pharmaceutically acceptable salts thereof are described, as well as processes for production, and methods of use of these compounds and compositions thereof for the treatment of diseases associated with abnormal protein kinase activities and/or abnormal histone deacetylase activities including, for example, inflammatory diseases, autoimmune diseases, cancer, amelioration of abnormal cell proliferation, neurological and neurodegenerative diseases, cardiovascular diseases, allergies and asthma and/or hormone-related diseases.

  公式（I）的孤立化合物及其立体异构体、对映体、二对映体和药学上可接受的盐已被描述，以及用于治疗与异常蛋白激酶活性和/或异常组蛋白去乙酰化酶活性相关的疾病的这些化合物和其组合物的生产过程和使用方法，例如炎症性疾病、自身免疫疾病、癌症、改善异常细胞增殖、神经和神经退行性疾病、心血管疾病、过敏和哮喘和/或激素相关疾病。
• KINASE INHIBITOR COMPOUNDS
  申请人：Liang Congxin

  公开号：US20110224212A1

  公开（公告）日：2011-09-15

  The invention relates to compounds, compositions comprising the compounds, and methods of using the compounds and compound compositions. The compounds, compositions, and methods described herein can be used for the therapeutic modulation of kinase-mediated processes, and treatment of disease and disease symptoms, particularly those mediated by certain kinase enzymes.

  本发明涉及化合物、包含该化合物的组合物以及使用该化合物和组合物的方法。所述化合物、组合物和方法可用于治疗激酶介导的过程、疾病和疾病症状，特别是那些由某些激酶酶介导的疾病和疾病症状的治疗调节。
• POLYMORPHIC FORM OF KINASE INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：Betta Pharmaceuticals Co., Ltd.

  公开号：EP3502105A1

  公开（公告）日：2019-06-26

  The invention discloses polymorphic forms of a compound of formula I, pharmaceutical compositions containing same, preparation method therefor and use thereof. The compound of formula I of the present invention is as shown in formula I, of which the crystalline form can be crystalline form 1, crystalline form 2, crystalline form 3, crystalline form 5, crystalline form 6 or crystalline form 7. All the crystalline forms of the compound of formula I in the present invention have good crystalline stability and chemical stability and a decrease in purity of their main ingredient less than 2%. The preparation method of the present invention may be used to produce the various crystalline forms of the compound of formula I with high purity, and suitable for large scale production.

  本发明公开了一种式 I 化合物的多晶型、含有该化合物的药物组合物、其制备方法及其用途。本发明的式 I 化合物如式 I 所示，其晶型可以是晶型 1、晶型 2、晶型 3、晶型 5、晶型 6 或晶型 7。本发明中所有式 I 化合物的结晶形式都具有良好的结晶稳定性和化学稳定性，其主要成分的纯度降低幅度小于 2%。本发明的制备方法可用于生产式 I 化合物的各种晶型，纯度高，适合大规模生产。
• PREVENTION OF VASCULAR AND CARDIAC FIBROSIS VIA IRE1ALPHA INHIBITION
  申请人：McMaster University

  公开号：US20190038597A1

  公开（公告）日：2019-02-07

  Provided herein are methods and compositions for treating and/or reducing the risk of developing a condition associated with fibrosis and/or collagen deposition in a subject. In one embodiment, the method comprises administering an effective amount of an IRE1α inhibitor to the subject; wherein the subject is identified as having a risk of developing and/or a need for treatment of the condition associated with fibrosis and/or collagen deposition.
• [EN] KINASE INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE KINASES
  申请人：XCOVERY INC

  公开号：WO2008033562A2

  公开（公告）日：2008-03-20

  [EN] The invention relates to compounds, compositions comprising the compounds, and methods of using the compounds and compound compositions. The compounds, compositions, and methods described herein can be used for the therapeutic modulation of kinase-mediated processes, and treatment of disease and disease symptoms, particularly those mediated by certain kinase enzymes.
  [FR] La présente invention concerne des composés, des compositions contenant lesdits composés, ainsi que des procédés d'utilisation desdits composés et desdites compositions. Les composés, les compositions, et les procédés faisant l'objet de la présente invention peuvent être utilisés pour la modulation thérapeutique de processus médiés par les kinases, ainsi que pour le traitement de maladies et de leurs symptômes, médiés en particulier par certaines enzymes de type kinase.