3-fluoro-4-(1-methylpiperidin-4-yl)aniline | 1353553-81-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-fluoro-4-(1-methylpiperidin-4-yl)aniline
• CAS: 1353553-81-7
• 化学式: C₁₂H₁₇FN₂
• 分子量: 208.279
• InChiKey: MKBLDBXGYGCCEH-UHFFFAOYSA-N

物化性质

• 沸点：
  301.8±42.0 °C(Predicted)
• 密度：
  1.106±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-fluoro-4-(1-methylpiperidin-4-yl)aniline 、 4-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyanomethyl)benzamide 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium carbonate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 正丁醇 为溶剂， 以33 %的产率得到N-(cyanomethyl)-4-[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]benzamide
  参考文献：
  名称：

  [EN] ULK3 INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS D'ULK3 ET LEURS UTILISATIONS

  摘要：

  The present disclosure provides compounds of Formula (I), Formula (II) and Formula (III) which are useful as inhibitors of ULK3 and methods of using the same to treat cancers, such as ULK-associated cancers, for example multiple myeloma and breast cancer.

  公开号：

  WO2024035771A2
• 作为产物：
  描述：

  1-甲基-1,2,3,6-四氢吡啶-4-硼酸频哪醇酯 在 四(三苯基膦)钯 、 palladium 10% on activated carbon 、 氢气 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 重水 为溶剂， 50.0~100.0 ℃ 、344.75 kPa 条件下， 反应 32.0h， 生成 3-fluoro-4-(1-methylpiperidin-4-yl)aniline
  参考文献：
  名称：

  HPK1抑制剂、制备方法及其用途

  摘要：

  本申请涉及HPK1抑制剂、制备方法及其用途。进一步，本申请属于医药领域，具体而言公开了式(I)化合物、其制备方法、含有该化合物的药物组合物、以及它们在制备用于预防和/或治疗HPK1介导的相关疾病的药物的用途。

  公开号：

  CN116063329A

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DE KINASES
  申请人：ORIGENIS GMBH

  公开号：WO2012143143A1

  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] BRD4-JAK2 INHIBITORS<br/>[FR] INHIBITEURS DE BRD4-JAK2
  申请人：H LEE MOFFITT CANCER CT & RES

  公开号：WO2020051572A1

  公开（公告）日：2020-03-12

  Disclosed herein are compounds that are inhibitors of BDR4 and their use in the treatment of cancer. Methods of screening for selective inhibitors of BDR4 are also disclosed. In certain aspects, disclosed are compounds of Formula I through IV.

  本文披露了一些抑制BDR4的化合物及其在癌症治疗中的应用。还披露了筛选BDR4选择性抑制剂的方法。在某些方面，披露了公式I至IV的化合物。
• BMP-SIGNAL-INHIBITING COMPOUND
  申请人：RIKEN

  公开号：US20190337926A1

  公开（公告）日：2019-11-07

  The present invention relates to novel and excellent small-molecule-corn pounds that specifically antagonize BMP signal pathways, and these compounds can be used to modulate cell growth, differentiation, proliferation, and apoptosis, and thus can be used to treat diseases or pathological symptoms related to BMP signal pathway including inflammation, cardiovascular diseases, hematopoietic diseases, cancer, osteodystrophia, or the like, particularly, fibrodysplasia ossificans progressiva, and the present invention relates to provision of a pharmaceutical and pharmacological agent used for specifically antagonizing the BMP signal pathways and acting on the BMP signal pathways in the prevention and treatment or experimental application since the compounds can be beneficial for regulating cell differentiation and/or cell proliferation.

  本发明涉及一种新颖且优秀的小分子化合物，可以特异性拮抗BMP信号通路，这些化合物可用于调节细胞生长、分化、增殖和凋亡，因此可用于治疗与BMP信号通路相关的疾病或病理症状，包括炎症、心血管疾病、造血系统疾病、癌症、骨发育不良等，特别是纤维性骨化进行性疾病。本发明涉及提供一种用于特异性拮抗BMP信号通路并作用于BMP信号通路的药物和药理剂，用于预防和治疗或实验应用，因为这些化合物有助于调节细胞分化和/或细胞增殖。
• [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。
• [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。