2-(3-(2-(4-(4-methylpiperazine-1-carbonyl)phenylamino)pyrimidin-4-ylamino)phenyl)acetonitrile | 1050499-98-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3-(2-(4-(4-methylpiperazine-1-carbonyl)phenylamino)pyrimidin-4-ylamino)phenyl)acetonitrile
• 英文别名: 2-[3-[[2-[4-(4-Methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]acetonitrile
• CAS: 1050499-98-3
• 化学式: C₂₄H₂₅N₇O
• 分子量: 427.509
• InChiKey: KJMQMTYTDCKYAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  97.2
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-(3-(2-Chloropyrimidin-4-ylamino)phenyl)acetonitrile 、 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran 在 sodium hydroxide 、 三氟乙酸 作用下， 以 甲醇 、 异丙醇 为溶剂， 生成 2-(3-(2-(4-(4-methylpiperazine-1-carbonyl)phenylamino)pyrimidin-4-ylamino)phenyl)acetonitrile
  参考文献：
  名称：

  Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use

  摘要：

  一种治疗或预防卡斯尔曼病、动脉粥样硬化、冠状动脉疾病、周围水肿、周围血管疾病、青光眼、湿性或干性老年性黄斑变性（AMD）、哮喘；慢性支气管炎；慢性阻塞性肺病；成人呼吸窘迫综合征；婴儿呼吸窘迫综合征；咳嗽；动物的慢性阻塞性肺病；成人呼吸窘迫综合征；溃疡性结肠炎；克罗恩病；胃酸过分分泌；细菌、真菌或病毒诱导的败血症或感染性休克；内毒素性休克；马的蹄叶炎或肠绞痛；脊髓创伤；头部损伤；神经源性炎症；疼痛；脑再灌注损伤；银屑病性关节炎；类风湿性关节炎；强直性脊柱炎；骨关节炎；炎症；或细胞因子介导的慢性组织退化的治疗方法包括给予具有以下结构（I）的化合物的治疗有效量或预防有效量。

  公开号：

  US20100029675A1

文献信息

• PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS
  申请人：Vankayalapati Hariprasad

  公开号：US20080214558A1

  公开（公告）日：2008-09-04

  Pyrimidine-2,4-diamines derivatives having activity as JAK2 kinase inhibitors are disclosed, as well as pharmaceutical compositions and methods for using the same in the treatment of cancer and other JAK2 kinase-associated conditions.

  翻译结果为：披露了具有JAK2激酶抑制活性的嘧啶-2,4-二胺衍生物，以及用于治疗癌症和其他与JAK2激酶相关的条件的药物组合物和方法。
• [EN] PYRIMIDINE-2,4-DIAMINE JAK2 KINASE INHIBITING ANTI-INFLAMMATION USE<br/>[FR] UTILISATION ANTI-INFLAMMATION DE L'INHIBITEUR DE LA PYRIMIDINE-2,4-DIAMINE KINASE JAK2
  申请人：SUPERGEN INC

  公开号：WO2010011349A2

  公开（公告）日：2010-01-28

  A method of treatment or prevention of Castleman's disease, atherosclerosis, coronary artery disease, peripheral edema, peripheral vascular disease, glaucoma, and wet or dry age-related macular degeneration (AMD), asthma; chronic bronchitis; chronic obstructive pulmonary disease; adult respiratory distress syndrome; infant respiratory distress syndrome; cough; chronic obstructive pulmonary disease in animals; adult respiratory distress syndrome; ulcerative colitis; Crohn's disease; hypersecretion of gastric acid; bacterial, fungal, or viral induced sepsis or septic shock; endotoxic shock; laminitis or colic in horses; spinal cord trauma; head injury; neurogenic inflammation; pain; reperfusion injury of the brain; psoriatic arthritis; rheumatoid arthritis; alkylosing spondylitis; osteoarthritis; inflammation; or cytokine-mediated chronic tissue degeneration comprises the step of administering a therapeutically effective amount, or a prophylactically effective amount, of a compound having the structure (I).
• Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use
  申请人：Hwang Soo-In

  公开号：US20100029675A1

  公开（公告）日：2010-02-04

  A method of treatment or prevention of Castleman's disease, atherosclerosis, coronary artery disease, peripheral edema, peripheral vascular disease, glaucoma, and wet or dry age-related macular degeneration (AMD), asthma; chronic bronchitis; chronic obstructive pulmonary disease; adult respiratory distress syndrome; infant respiratory distress syndrome; cough; chronic obstructive pulmonary disease in animals; adult respiratory distress syndrome; ulcerative colitis; Crohn's disease; hypersecretion of gastric acid; bacterial, fungal, or viral induced sepsis or septic shock; endotoxic shock; laminitis or colic in horses; spinal cord trauma; head injury; neurogenic inflammation; pain; reperfusion injury of the brain; psoriatic arthritis; rheumatoid arthritis; alkylosing spondylitis; osteoarthritis; inflammation; or cytokine-mediated chronic tissue degeneration comprises the step of administering a therapeutically effective amount, or a prophylactically effective amount, of a compound having the following structure (I):

  一种治疗或预防卡斯尔曼病、动脉粥样硬化、冠状动脉疾病、周围水肿、周围血管疾病、青光眼、湿性或干性老年性黄斑变性（AMD）、哮喘；慢性支气管炎；慢性阻塞性肺病；成人呼吸窘迫综合征；婴儿呼吸窘迫综合征；咳嗽；动物的慢性阻塞性肺病；成人呼吸窘迫综合征；溃疡性结肠炎；克罗恩病；胃酸过分分泌；细菌、真菌或病毒诱导的败血症或感染性休克；内毒素性休克；马的蹄叶炎或肠绞痛；脊髓创伤；头部损伤；神经源性炎症；疼痛；脑再灌注损伤；银屑病性关节炎；类风湿性关节炎；强直性脊柱炎；骨关节炎；炎症；或细胞因子介导的慢性组织退化的治疗方法包括给予具有以下结构（I）的化合物的治疗有效量或预防有效量。