N-(4-(4-ethyl-piperazin-1-yl)-phenyl)-N'-methyl-pyrimidine-4,6-diamine | 872511-35-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-(4-(4-ethyl-piperazin-1-yl)-phenyl)-N'-methyl-pyrimidine-4,6-diamine
• 英文别名: N4-(4-(4-Ethylpiperazin-1-yl)phenyl)-N6-methylpyrimidine-4,6-diamine；4-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-N-methylpyrimidine-4,6-diamine
• CAS: 872511-35-8
• 化学式: C₁₇H₂₄N₆
• 分子量: 312.418
• InChiKey: DYLFXITZFJHFFJ-UHFFFAOYSA-N

物化性质

• 沸点：
  522.2±50.0 °C(Predicted)
• 密度：
  1.191±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  56.3
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  N-(4-(4-ethyl-piperazin-1-yl)-phenyl)-N'-methyl-pyrimidine-4,6-diamine 在 磷酸 作用下， 以 水 、 异丙醇 、 甲苯 为溶剂， 反应 2.0h， 生成 NVPBGJ398磷酸盐
  参考文献：
  名称：

  METHODS OF TREATING URINARY SYSTEM CANCERS

  摘要：

  Provided herein are methods of treating an upper tract urothelial carcinoma in a patient by administering to the patient infigratinib or a pharmaceutically acceptable salt thereof. Also provided herein are methods of treating non-muscle invasive bladder cancer by administering to the patient infigratinib or a pharmaceutically acceptable salt thereof.

  公开号：

  US20220233537A1
• 作为产物：
  描述：

  1-乙基-4-(4-硝基苯基)哌嗪 在 盐酸 、 氢气 作用下， 以 1,4-二氧六环 、 甲醇 、 正丁醇 为溶剂， 反应 47.0h， 生成 N-(4-(4-ethyl-piperazin-1-yl)-phenyl)-N'-methyl-pyrimidine-4,6-diamine
  参考文献：
  名称：

  Discovery of 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (NVP-BGJ398), A Potent and Selective Inhibitor of the Fibroblast Growth Factor Receptor Family of Receptor Tyrosine Kinase

  摘要：

  A novel series of N-aryl-N'-pyrimidin-4-yl ureas has been optimized to afford potent and selective inhibitors of the fibroblast growth factor receptor tyrosine kinases 1, 2, and 3 by rationally designing the substitution pattern of the aryl ring. On the basis of its in vitro profile, compound 1h (NVP-BGJ398) was selected for in vivo evaluation and showed significant antitumor activity in RT112 bladder cancer xenografts models overexpressing wild-type FGFR3. These results support the potential therapeutic use of 1h as a new anticancer agent.

  DOI：

  10.1021/jm2006222
• 作为试剂：
  描述：

  4-(4-乙基哌嗪-1-基)苯胺 、 3-(2,6-dichloro-3-methoxyphenyl)-1-methyl-1-{6-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-4-yl}urea 在 N-(4-(4-ethyl-piperazin-1-yl)-phenyl)-N'-methyl-pyrimidine-4,6-diamine 、 silica gel 、 methanol-dichloromethane 作用下， 生成 N-(4-(4-ethyl-piperazin-1-yl)-phenyl)-N'-methyl-pyrimidine-4,6-diamine
  参考文献：
  名称：

  COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS

  摘要：

  本发明涉及公式（I）的化合物，其中取代基X1、R1、R2、R3和R4的含义如发明说明中所述和解释的那样，以及制备这些化合物的方法、包含它们的药物组合物，其可选择与一个或多个其他药理活性化合物结合使用，用于治疗对蛋白激酶活性抑制有反应的疾病，以及用于治疗这种疾病的方法。

  公开号：

  US20130012476A1

文献信息

• [EN] PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DERIVES PYRIMIDINES UREE EN TANT QU'INHIBITEURS DE KINASE
  申请人：NOVARTIS AG

  公开号：WO2006000420A1

  公开（公告）日：2006-01-05

  The invention relates to compounds of formula (I) wherein the substituents X1, R1, R2, R3 and R4 have the meaning as set forth and explained in the description of the invention, to processes for the preparation of these compounds, pharmaceutical compositions containing same, the use thereof optionally in combination with one or more other pharmaceutically active compounds for the therapy of a disease which responds to an inhibition of protein kinase activity, and a method for the treatment of such a disease.

  该发明涉及式(I)的化合物，其中取代基X1、R1、R2、R3和R4的含义如所述并解释在该发明的描述中，以及制备这些化合物的方法，含有相同化合物的药物组合物，可选择与一个或多个其他药用活性化合物结合使用，用于治疗对蛋白激酶活性抑制有反应的疾病，并且用于治疗此类疾病的方法。
• [EN] CHLOROBENZENE SUBSTITUTED AZAARYL COMPOUNDS<br/>[FR] COMPOSÉS AZAARYL SUBSTITUÉS PAR LE CHLOROBENZÈNE
  申请人：UNIV TAIPEI MEDICAL

  公开号：WO2017015400A1

  公开（公告）日：2017-01-26

  The invention provides a series of chlorobenzene substituted azaaryl compounds having activity in inhibiting cancer cell growth and low toxicity to normal cells. Particularly, the compounds of the invention have stronger inhibition effect on bladder cancer and liver cancer.

  该发明提供了一系列氯苯取代的氮杂芳基化合物，具有抑制癌细胞生长并对正常细胞毒性较低的活性。特别是，该发明的化合物对膀胱癌和肝癌具有更强的抑制作用。
• [EN] CRYSTALLINE FORMS OF 3-(2,6-DICHLORO-3,5-DIMETHOXY-PHENYL)-1-{6-[4-(4-ETHYL-PIPERAZIN-1-YL)-PHENYLAMINO]-PYRIMIDIN-4-YL}-1-METHYL-UREA AND SALTS THEREOF.<br/>[FR] FORMES CRISTALLINES DE LA 3-(2,6-DICHLORO-3,5-DIMÉTHOXY-PHÉNYL)-1-{6-[4-(4-ÉTHYL-PIPÉRAZIN-1-YL)-PHÉNYLAMINO]-PYRIMIDIN-4-YL}-1-MÉTHYL-URÉE ET DE SES SELS
  申请人：NOVARTIS AG

  公开号：WO2011071821A1

  公开（公告）日：2011-06-16

  The present technology provides novel anhydrous and hydrated crystalline forms of 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea, amorphous and anhydrous crystalline polymorphs of its monophosphoric acid salt, and the hydrochloride salt, including its dihydrate. The present technology further provides methods for preparing the various forms, compositions containing them, and methods of treatment employing them.

  目前的技术提供了3-(2,6-二氯-3,5-二甲氧基苯基)-1-6-[4-(4-乙基哌嗪-1-基)-苯基氨基]-嘧啶-4-基}-1-甲基脲的新型无水和水合晶型形式，以及其单磷酸盐的非晶和无水结晶多型体，以及盐酸盐，包括其二水合物。该技术还提供了制备各种形式的方法，含有它们的组合物，以及使用它们的治疗方法。
• FMS 키나아제 저해 활성을 갖는 피리미딘 화합물
  申请人：HANMI PHARM. CO., LTD. 한미약품 주식회사(120100356638) Corp. No ▼ 134811-0197550BRN ▼124-87-00613

  公开号：KR20150037207A

  公开（公告）日：2015-04-08

  하기 화학식 1의 피리미딘 화합물, 이의 약학적으로 허용가능한 염, 광학이성질체, 수화물 및 용매화물로부터 선택되는 화합물은 FMS 키나아제에 대한 저해 활성이 우수하므로, 이를 포함하는 약학적 조성물은 FMS 키나아제에 기인하는 면역성 질환, 대사성 질환, 염증성 질환, 및 암의 예방 또는 치료에 효과가 우수하다. 화학식 1 상기 식에서, A, Z, R, R, R 및 R은 명세서 중에서 정의한 바와 같다.

  化学式1的嘧啶化合物，其药学上可接受的盐、光学异构体、水合物和溶剂化合物中选择的化合物对FMS酪氨酸激酶具有优异的抑制活性，包含该化合物的药学组合物对由FMS酪氨酸激酶引起的免疫性疾病、代谢性疾病、炎症性疾病和癌症的预防或治疗效果优越。在上述公式中，A、Z、R、R、R和R如定义中所述。
• Pyrimidinyl aryl urea derivatives being FGF inhibitors
  申请人：Novartis AG

  公开号：US08293746B2

  公开（公告）日：2012-10-23

  The invention relates to heteroaryl aryl ureas of the formula IA, wherein the radicals and symbols have the meanings as defined herein, the use of such compounds in the treatment of protein kinase dependent diseases; to pharmaceutical preparations comprising said heteroaryl aryl ureas, to processes for the manufacture of such novel compounds and to methods of treatment comprising the use of such heteroaryl aryl ureas.

  本发明涉及公式IA的杂环芳基芳基脲，其中基团和符号的含义如本文所定义，在蛋白激酶依赖性疾病的治疗中使用这种化合物；含有这种杂环芳基芳基脲的制药制剂，制造这种新型化合物的方法，以及使用这种杂环芳基芳基脲的治疗方法。