1-[4-(4-isopropoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea | 1197161-09-3

• 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: 1-[4-(4-isopropoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea
• 英文别名: 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenyl]urea
• CAS: 1197161-09-3
• 化学式: C₂₉H₃₆N₈O₄
• 分子量: 560.656
• InChiKey: XJPHXYLUBXRUNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2,4-二氯-6-吗啉基-1,3,5-三嗪 在 四(三苯基膦)钯 、 正丁基锂 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 正己烷 、 水 为溶剂， 反应 3.08h， 生成 1-[4-(4-isopropoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea
  参考文献：
  名称：

  Identification of 2-oxatriazines as highly potent pan-PI3K/mTOR dual inhibitors

  摘要：

  We recently described several highly potent, triazine (1) and triazolopyrimidine (2) scaffold-based, dual PI3K/mTOR-inhibitors (e.g., 1, PKI-587) that were efficacious in both in vitro and in vivo models. In order to further optimize these compounds we devised a novel series, the 2-oxatriazines, which also exhibited excellent potency and good metabolic stability. Some 2-oxatriazines showed promising in vivo biomarker suppression and induced apoptosis in the MDA-MB-361 breast cancer xenograft model. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.063

文献信息

• TRIAZINE COMPOUNDS AS PI3 KINASE AND MTOR INHIBITORS
  申请人：WYETH LLC

  公开号：US20170119778A1

  公开（公告）日：2017-05-04

  Compounds of formula I wherein: R 1 is and R 2 , R 4 , and R 6-9 are defined herein, and pharmaceutically acceptable salts and esters thereof. These compounds inhibit PI3 kinase and mTOR, and may be used to treat diseases mediated by PI3 kinase and mTOR, such as a variety of cancers. Methods for making and using the compounds of this invention are disclosed. Various compositions containing the compounds of this invention are also disclosed.

  式I化合物，其中：R1为，R2、R4和R6-9如本文所定义，以及其药学上可接受的盐和酯。这些化合物抑制PI3激酶和mTOR，并可用于治疗由PI3激酶和mTOR介导的疾病，例如多种癌症。本发明还公开了制备和使用这些化合物的方法。此外，还公开了含有本发明化合物的各种组合物。
• [EN] TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS<br/>[FR] COMPOSÉS TRIAZINES EN TANT QU'INHIBITEURS DE KINASE P13 ET DE MTOR
  申请人：WYETH CORP

  公开号：WO2009143313A1

  公开（公告）日：2009-11-26

  Compounds of formula I (I) wherein: R1 is (II) or (III); and R2, R4, and R6-9 are defined herein, and pharmaceutically acceptable salts and esters thereof. These compounds inhibit PI3 kinase and mTOR, and may be used to treat diseases mediated by PI3 kinase and mTOR, such as a variety of cancers. Methods for making and using the compounds of this invention are disclosed. Various compositions containing the compounds of this invention are also disclosed.

  式I的化合物（I）其中：R1为（II）或（III）; R2、R4和R6-9在此定义，并且其药学上可接受的盐和酯。这些化合物抑制PI3激酶和mTOR，并可用于治疗由PI3激酶和mTOR介导的疾病，如各种癌症。公开了制备和使用本发明化合物的各种方法。还公开了含有本发明化合物的各种组合物。
• [EN] TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS<br/>[FR] COMPOSÉS DE TRIAZINE FORMANT DES INHIBITEURS DE PI3-KINASE ET MTOR
  申请人：WYETH CORP

  公开号：WO2009143317A1

  公开（公告）日：2009-11-26

  Compounds of formula (I) wherein: R1 is and R2, R4, and R6-9 are defined herein, and pharmaceutically acceptable salts and esters thereof. These compounds inhibit PI3 kinase and mTOR, and may be used to treat diseases mediated by PI3 kinase and mTOR, such as a variety of cancers. Methods for making and using the compounds of this invention are disclosed. Various compositions containing the compounds of this invention are also disclosed.

  式(I)的化合物，其中：R1为某一定义的基团，R2，R4和R6-9也为某一定义的基团，以及其药学上可接受的盐和酯。这些化合物能够抑制PI3激酶和mTOR，并可用于治疗由PI3激酶和mTOR介导的疾病，例如多种癌症。本发明还揭示了制备和使用这些化合物的方法。还揭示了含有这些化合物的各种组合物。
• Triazine compounds as PI3 kinase and mTOR inhibitors
  申请人：Wyeth LLC

  公开号：US08217036B2

  公开（公告）日：2012-07-10

  Compounds of formula I wherein: R1 is and R2, R4, and R6-9 are defined herein, and pharmaceutically acceptable salts and esters thereof. These compounds inhibit PI3 kinase and mTOR, and may be used to treat diseases mediated by PI3 kinase and mTOR, such as a variety of cancers. Methods for making and using the compounds of this invention are disclosed. Various compositions containing the compounds of this invention are also disclosed.

  化合物I的公式如下：其中：R1为，R2、R4、以及R6-9在此定义，以及其药学上可接受的盐和酯。这些化合物可以抑制PI3激酶和mTOR，并可用于治疗由PI3激酶和mTOR介导的疾病，如多种癌症。本发明还揭示了制备和使用这些化合物的方法。还揭示了含有这些化合物的各种组合物。
• Triazine compounds as P13 kinase and MTOR inhibitors
  申请人：Wyeth LLC

  公开号：US08748421B2

  公开（公告）日：2014-06-10

  Compounds of formula I wherein: R1 is and R2, R4, and R6-9 are defined herein, and pharmaceutically acceptable salts and esters thereof. These compounds inhibit PI3 kinase and mTOR, and may be used to treat diseases mediated by PI3 kinase and mTOR, such as a variety of cancers. Methods for making and using the compounds of this invention are disclosed. Various compositions containing the compounds of this invention are also disclosed.

  式I的化合物，其中： R1是已定义的苯基或苯基取代物； R2、R4、以及R6-9在此已定义，且其药学上可接受的盐和酯。这些化合物能够抑制PI3激酶和mTOR，可用于治疗由PI3激酶和mTOR介导的疾病，例如多种癌症。本发明还揭示了制备和使用这些化合物的方法。还揭示了含有这些化合物的各种组合物。