(4,6-diiodo-pyrimidin-5-yl)-methyl-amine | 871027-65-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (4,6-diiodo-pyrimidin-5-yl)-methyl-amine
• 英文别名: 4,6-diiodo-N-methylpyrimidin-5-amine；4,6-diiodo-N-methylpyrimidine-5-amine
• CAS: 871027-65-5
• 化学式: C₅H₅I₂N₃
• 分子量: 360.924
• InChiKey: MTXGLERRVAKTGT-UHFFFAOYSA-N

物化性质

• 熔点：
  97-98 °C(Solv: heptane (142-82-5))
• 沸点：
  386.7±42.0 °C(Predicted)
• 密度：
  2.587±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4,6-diiodo-pyrimidin-5-yl)-methyl-amine 、 苄硫醇 在 三乙胺 作用下， 以72%的产率得到(4-benzylsulfanyl-6-iodo-pyrimidin-5-yl)-methyl-amine
  参考文献：
  名称：

  Synthesis of 6,7,8-Trisubstituted Purines via a Copper-Catalyzed Amidation Reaction

  摘要：

  We report herein an efficient method for the synthesis of 6,7,8-trisubstituted purines via a copper-catalyzed amidation reaction from easily accessible starting materials. Furthermore, the resulting 6-benzylsulfanyl-substituted purine derivatives may be readily oxidized for substitution by nucleophiles to give access to 6,7,8- trisubstituted purines for biological screening purposes.

  DOI：

  10.1021/jo802248g
• 作为产物：
  描述：

  甲磺酸甲酯 、 4,6-二碘-5-氨基嘧啶 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 4.5h， 以70%的产率得到(4,6-diiodo-pyrimidin-5-yl)-methyl-amine
  参考文献：
  名称：

  N-苯基-N '-[4-（5 H-吡咯并[3,2 - d ]嘧啶-4-基氧基）苯基]脲作为VEGFR和FGFR激酶的新型抑制剂

  摘要：

  我们最近报道了吡咯并[3,2- d ]嘧啶衍生物1a和1b作为血管内皮生长因子受体（VEGFR），血小板衍生生长因子受体（PDGFR）和Tie-2激酶的有效三重抑制剂的发现。为了鉴定对成纤维细胞生长因子受体（FGFR）激酶具有强抑制活性的化合物，使用VEGFR2和1b的共晶体结构分析进行了进一步修饰。在合成的化合物中，在末端苯环上具有哌嗪部分的尿素衍生物11l显示出对FGFR1激酶和VEGFR2激酶的强抑制活性。11l的绑定模型 与VEGFR2复合表明哌嗪部分与Ile1025和His1026形成额外的相互作用。

  DOI：

  10.1016/j.bmc.2010.08.042

文献信息

• Fused Heterocyclic Compound
  申请人：Ishikawa Tomoyasu

  公开号：US20070244132A1

  公开（公告）日：2007-10-18

  The present invention relates to a compound represented by the formula: wherein W is C(R 1 ) or N, each A is an optionally substituted aryl group or a heteroaryl group, X 1 is —NR 3 —Y 1 —, —O—, —S—, —SO—, —SO 2 — or —CHR 3 — wherein R 3 is a hydrogen atom or an optionally substituted aliphatic hydrocarbon group, or R 3 is optionally bonded to A to form an optionally substituted ring structure, R 1 is a hydrogen atom or an optionally substituted group bonded via a carbon atom, a nitrogen atom or an oxygen atom, R 2 is a hydrogen atom or optionally substituted group bonded via a carbon atom or a sulfur atom, or R 1 and R 2 , or R 2 and R 3 are optionally bonded to form an optionally substituted ring structure, or a salt thereof, and a tyrosine kinase inhibitor or an agent for the prophylaxis or treatment of cancer, which contains this compound or a prodrug thereof.

  本发明涉及一种化合物，其表示式为：其中W是C（R1）或N，每个A是可选取代的芳基或杂环基，X1是—NR3—Y1—、—O—、—S—、—SO—、—SO2—或—CHR3—，其中R3是氢原子或可选取代的脂肪烃基，或者R3与A可选地结合形成可选取代的环状结构，R1是氢原子或通过碳原子、氮原子或氧原子键合的可选取代基团，R2是氢原子或通过碳原子或硫原子键合的可选取代基团，或者R1和R2，或者R2和R3可选地键合形成可选取代的环状结构，或其盐，以及含有该化合物或其前药的酪氨酸激酶抑制剂或预防或治疗癌症的药物。
• FUSED HETEROCYCLIC COMPOUND
  申请人：ISHIKAWA Tomoyasu

  公开号：US20090029973A1

  公开（公告）日：2009-01-29

  The present invention relates to a compound represented by the formula: wherein W is C(R 1 ) or N, each A is an optionally substituted aryl group or a heteroaryl group, X 1 is —NR 3 —Y 1 —, —O—, —S—, —SO—, —SO 2 — or —CHR 3 — wherein R 3 is a hydrogen atom or an optionally substituted aliphatic hydrocarbon group, or R 3 is optionally bonded to A to form an optionally substituted ring structure, R 1 is a hydrogen atom or an optionally substituted group bonded via a carbon atom, a nitrogen atom or an oxygen atom, R 2 is a hydrogen atom or optionally substituted group bonded via a carbon atom or a sulfur atom, or R 1 and R 2 , or R 2 and R 3 are optionally bonded to form an optionally substituted ring structure, or a salt thereof, and a tyrosine kinase inhibitor or an agent for the prophylaxis or treatment of cancer, which contains this compound or a prodrug thereof.

  本发明涉及一种由以下式表示的化合物：其中W为C（R1）或N，每个A为可选择取代的芳基或杂环基，X1为—NR3—Y1—，—O—，—S—，—SO—，—SO2—或—CHR3—，其中R3为氢原子或可选择取代的脂肪烃基，或R3与A结合形成可选择取代的环结构，R1为氢原子或通过碳原子、氮原子或氧原子键合的可选择取代基团，R2为氢原子或通过碳原子或硫原子键合的可选择取代基团，或R1和R2，或R2和R3可选择结合形成可选择取代的环结构，或其盐，以及含有该化合物或其前药的酪氨酸激酶抑制剂或预防或治疗癌症的药剂。
• Fused heterocyclic compound
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US07507740B2

  公开（公告）日：2009-03-24

  The present invention relates to a compound represented by the formula: wherein W is C(R1) or N, each A is an optionally substituted aryl group or a heteroaryl group, X1 is —NR3—Y1—, —O—, —S—, —SO—, —SO2— or —CHR3— wherein R3 is a hydrogen atom or an optionally substituted aliphatic hydrocarbon group, or R3 is optionally bonded to A to form an optionally substituted ring structure, R1 is a hydrogen atom or an optionally substituted group bonded via a carbon atom, a nitrogen atom or an oxygen atom, R2 is a hydrogen atom or optionally substituted group bonded via a carbon atom or a sulfur atom, or R1 and R2, or R2 and R3 are optionally bonded to form an optionally substituted ring structure, or a salt thereof, and a tyrosine kinase inhibitor or an agent for the prophylaxis or treatment of cancer, which contains this compound or a prodrug thereof.

  本发明涉及一种由以下公式表示的化合物：其中W为C（R1）或N，每个A为可选取代的芳基或杂环基，X1为—NR3—Y1—、—O—、—S—、—SO—、—SO2—或—CHR3—，其中R3为氢原子或可选取代的脂肪烃基，或R3可选择与A结合形成可选取代的环状结构，R1为氢原子或通过碳原子、氮原子或氧原子键合的可选取代基，R2为氢原子或通过碳原子或硫原子键合的可选取代基，或R1和R2，或R2和R3可选择结合形成可选取代的环状结构，或其盐，并且包含该化合物或其前药的酪氨酸激酶抑制剂或癌症预防或治疗剂。
• Bi- and tricyclic fused pyrimidines as tyrosine kinase inhibitors
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US08178543B2

  公开（公告）日：2012-05-15

  The present invention relates to a compound represented by the formula: wherein W is C(R1) or N, each A is an optionally substituted aryl group or a heteroaryl group, X1 is —NR3—Y1—, —O—, —S—, —SO—, —SO2— or —CHR3— wherein R3 is a hydrogen atom or an optionally substituted aliphatic hydrocarbon group, or R3 is optionally bonded to A to form an optionally substituted ring structure, R1 is a hydrogen atom or an optionally substituted group bonded via a carbon atom, a nitrogen atom or an oxygen atom, R2 is a hydrogen atom or optionally substituted group bonded via a carbon atom or a sulfur atom, or R1 and R2, or R2 and R3 are optionally bonded to form an optionally substituted ring structure, or a salt thereof, and a tyrosine kinase inhibitor or an agent for the prophylaxis or treatment of cancer, which contains this compound or a prodrug thereof.

  本发明涉及一种由以下式表示的化合物：其中W是C（R1）或N，每个A是一个可选地取代的芳基或杂环基，X1是-NR3-Y1-、-O-、-S-、-SO-、-SO2-或-CHR3-，其中R3是氢原子或可选地取代的脂肪烃基，或者R3可选择与A结合形成可选地取代的环结构，R1是氢原子或通过碳原子、氮原子或氧原子键合的可选地取代的基团，R2是氢原子或通过碳原子或硫原子键合的可选地取代的基团，或者R1和R2，或者R2和R3可选择结合形成可选地取代的环结构，或其盐，以及含有该化合物或其前药的酪氨酸激酶抑制剂或癌症预防或治疗剂。
• Fused Heterocyclic Derivatives and Use Thereof
  申请人：Imamura Shinichi

  公开号：US20090137580A1

  公开（公告）日：2009-05-28

  The present invention provides a fused heterocyclic derivative showing a potent kinase inhibitory activity and use thereof. A compound represented by the formula: wherein ring A is an optionally substituted pyrrole ring, X is an optionally substituted CH, Y is an optionally substituted CH or nitrogen atom, Z is an optionally substituted divalent hydrocarbon group or optionally substituted divalent heterocyclic group, T is a single bond or an optionally substituted C 1-3 alkylene group, and U is an optionally substituted amido group, an optionally substituted sulfonamido group, an optionally substituted ureido group, an optionally substituted carbamoyl group or an optionally substituted thioureido group, or a salt thereof, and a pharmaceutical agent containing the compound or a prodrug thereof, which is a kinase (VEGFR, VEGFR2, PDGFR, TIE2) inhibitor, an angiogenesis inhibitor, an agent for the prophylaxis or treatment of cancer, an agent for inhibiting growth of cancer or an agent for suppressing metastasis of cancer.

  本发明提供了一种融合的杂环衍生物，具有强大的激酶抑制活性及其用途。该化合物由以下公式表示： 其中，环A是可选的取代吡咯环，X是可选的取代的CH，Y是可选的取代的CH或氮原子，Z是可选的取代的二价碳氢基团或可选的取代的二价杂环基团，T是单键或可选的取代的C1-3烷基团，U是可选的取代的酰胺基团、可选的取代的磺酰胺基团、可选的取代的脲基团、可选的取代的氨基甲酰基团或可选的取代的硫脲基团，或其盐，以及含有该化合物或其前药的药物制剂，该制剂是激酶(VEGFR、VEGFR2、PDGFR、TIE2)抑制剂、血管生成抑制剂、预防或治疗癌症的药物、抑制癌症生长的药物或抑制癌症转移的药物。