2-allyl-1-[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]-6-([4-(4-methylpiperazin-1-yl)phenyl]amino)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one monohydrate | 1075739-30-8

• 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: 2-allyl-1-[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]-6-([4-(4-methylpiperazin-1-yl)phenyl]amino)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one monohydrate
• 英文别名: 1-[6-(2-Hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;hydrate
• CAS: 1075739-30-8
• 化学式: C₂₇H₃₂N₈O₂*H₂O
• 分子量: 518.619
• InChiKey: DCJXOSKZCGMBKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.06
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  102
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-allyl-1-[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]-6-([4-(4-methylpiperazin-1-yl)phenyl]amino)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one isopropanol solvate 在 水 作用下， 以 乙醇 为溶剂， 以95%的产率得到2-allyl-1-[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]-6-([4-(4-methylpiperazin-1-yl)phenyl]amino)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one monohydrate
  参考文献：
  名称：

  WO2008/133866

  摘要：

  公开号：

文献信息

• CRYSTALLINE FORMS OF DIHYDROPYRAZOLOPYRIMIDINONE
  申请人：Kawasaki Masashi

  公开号：US20100124544A1

  公开（公告）日：2010-05-20

  The present invention relates to the crystalline forms of 2-allyl-1-[6-(I-hydroxy-1 methylethyl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)phenyl]amino}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one or a salt thereof, which are useful in the field of treatment of various cancers as a kinase inhibitor, especially as a Weel kinase inhibitor.

  本发明涉及2-烯丙基-1-[6-(1-羟基-1-甲基乙基)吡啶-2-基]-6-[4-(4-甲基哌嗪-1-基)苯基]氨基}-1,2-二氢-3H-吡唑并[3,4-d]嘧啶-3-酮或其盐的晶型，它们在癌症治疗领域中作为一种激酶抑制剂，特别是作为Weel激酶抑制剂有用。
• DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES
  申请人：Sagara Takeshi

  公开号：US20110189130A1

  公开（公告）日：2011-08-04

  The invention relates to compounds of a general formula (I): wherein Ar 1 is an optionally-substituted aryl or heteroaromatic group; R 1 is an optionally-substituted lower alkyl, lower alkenyl, lower alkynyl or cyclo-lower alkyl group, or is an aryl, aralkyl or heteroaromatic group optionally having a substituent; R 2 is a hydrogen atom, a lower alkyl group, a lower alkenyl group or a lower alkynyl group, or is an aryl, aralkyl or heteroaromatic group optionally having a substituent; R 3 is a hydrogen atom or a lower alkyl group; R 4 is a hydrogen atom, a halogen atom, a hydroxyl group, a lower alkyl group or a group of —N(R 1k )R 1m ; T and U are a nitrogen atom or a methine group, etc. The compounds of the invention have excellent Weel kinase-inhibitory effect and are therefore useful in the field of medicines, especially treatment of various cancers.

  本发明涉及一般式(I)的化合物：其中Ar1是可选取代的芳基或杂环芳基基团；R1是可选取代的低碳基、低烯基、低炔基或环-低碳基基团，或是带有取代基的芳基、芳基烷基或杂环芳基基团；R2是氢原子、低碳基、低烯基或低炔基，或是带有取代基的芳基、芳基烷基或杂环芳基基团；R3是氢原子或低碳基；R4是氢原子、卤素原子、羟基、低碳基或—N(R1k)R1m基团；T和U是氮原子或甲基基团等。该发明的化合物具有出色的Weel激酶抑制作用，因此在药物领域，特别是治疗各种癌症方面非常有用。
• Dihydropyrazolopyrimidinone Derivatives
  申请人：Sakamoto Toshihiro

  公开号：US20100063024A1

  公开（公告）日：2010-03-11

  The invention relates to compounds of a general formula (I): wherein Ar 1 is an optionally-substituted aryl or heteroaromatic group; R 1 is an optionally-substituted lower alkyl, lower alkenyl, lower alkynyl or cyclo-lower alkyl group, or is an aryl, aralkyl or heteroaromatic group optionally having a substituent; R 2 is a hydrogen atom, a lower alkyl group, a lower alkenyl group or a lower alkynyl group, or is an aryl, aralkyl or heteroaromatic group optionally having a substituent; R 3 is a hydrogen atom or a lower alkyl group; R 4 is a hydrogen atom, a halogen atom, a hydroxyl group, a lower alkyl group or a group of —N(R 1k )R 1m ; T and U are a nitrogen atom or a methine group, etc. The compounds of the invention have excellent Weel kinase-inhibitory effect and are therefore useful in the field of medicines, especially treatment of various cancers.

  本发明涉及一般式（I）的化合物：其中Ar1是可选取取代基的芳基或杂环芳基基团；R1是可选取取代基的低碳基、低烯基、低炔基或环低碳基基团，或是带取代基的芳基、芳基烷基或杂环芳基基团；R2是氢原子、低碳基、低烯基或低炔基，或是带取代基的芳基、芳基烷基或杂环芳基基团；R3是氢原子或低碳基；R4是氢原子、卤素原子、羟基、低碳基或-N（R1k）R1m基团；T和U是氮原子或甲基烷基等。本发明的化合物具有出色的Weel激酶抑制作用，因此在药物领域中特别适用于治疗各种癌症。
• DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP2017278A1

  公开（公告）日：2009-01-21

  The invention relates to compounds of a general formula (I): wherein Ar1 is an optionally-substituted aryl or heteroaromatic group; R1 is an optionally-substituted lower alkyl, lower alkenyl, lower alkynyl or cyclo-lower alkyl group, or is an aryl, aralkyl or heteroaromatic group optionally having a substituent; R2 is a hydrogen atom, a lower alkyl group, a lower alkenyl group or a lower alkynyl group, or is an aryl, aralkyl or heteroaromatic group optionally having a substituent; R3 is a hydrogen atom or a lower alkyl group; R4 is a hydrogen atom, a halogen atom, a hydroxyl group, a lower alkyl group or a group of -N(R1k)R1m; T and U are a nitrogen atom or a methine group, etc. The compounds of the invention have excellent Weel kinase-inhibitory effect and are therefore useful in the field of medicines, especially treatment of various cancers.

  本发明涉及通式 (I) 的化合物： 其中 Ar1 是任选取代的芳基或杂芳基；R1 是任选取代的低级烷基、低级烯基、低级炔基或环低级烷基，或者是任选具有取代基的芳基、芳烷基或杂芳基；R2 是氢原子、低级烷基、低级烯基或低级炔基，或任选具有取代基的芳基、芳烷基或杂芳基； R3 是氢原子或低级烷基； R4 是氢原子、卤素原子、羟基、低级烷基或-N(R1k)R1m 的基团； T 和 U 是氮原子或甲基等。 本发明的化合物具有优异的韦氏激酶抑制作用，因此在医药领域，特别是治疗各种癌症方面非常有用。
• POLYMORPH OF DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE AS WEEL KINASE.INHIBITOR
  申请人：Merck & Co., Inc.

  公开号：EP2155752A1

  公开（公告）日：2010-02-24