2-allyl-6-(methylthio)-1-pyridin-2-yl-3H-pyrazolo[3,4-d]pyrimidin-3-one | 955369-47-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-allyl-6-(methylthio)-1-pyridin-2-yl-3H-pyrazolo[3,4-d]pyrimidin-3-one
• 英文别名: 6-methylsulfanyl-2-prop-2-enyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one
• CAS: 955369-47-8
• 化学式: C₁₄H₁₃N₅OS
• 分子量: 299.356
• InChiKey: JNVGPZDWUBHVRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  87.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-allyl-6-(methylthio)-1-pyridin-2-yl-3H-pyrazolo[3,4-d]pyrimidin-3-one 在 间氯过氧苯甲酸 作用下， 以 甲苯 为溶剂， 生成 6-Methylsulfinyl-2-prop-2-enyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one
  参考文献：
  名称：

  [EN] CHIMERIC COMPOUNDS USEFUL IN TREATING DISEASES
  [FR] COMPOSÉS CHIMÉRIQUES UTILES DANS LE TRAITEMENT DE MALADIES

  摘要：

  The present invention is generally directed to dual inhibitors of poly (ADP-ribose) polymerase (PARP) and Wee1 useful in the treatment of diseases and disorders modulated by said enzymes and having the Formula (A): P-L-W (A), wherein P is new or known inhibitor of poly (ADP-ribose) polymerase (PARP); L is a linker that connected two active parts of the molecule and may be indeed the part of one of these active molecules; W is new or known inhibitor of Wee1; and in more specific aspect directed to compound of the Formula (I).

  公开号：

  WO2023064164A1
• 作为产物：
  描述：

  (Z)-6-(2-烯丙基-2-(叔丁氧基羰基)亚肼基)-2-甲硫基-1,6-二氢嘧啶-5-羧酸乙酯 在 copper(l) iodide 、 potassium carbonate 、 三氟乙酸 、 N,N'-二甲基乙二胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 20.25h， 生成 2-allyl-6-(methylthio)-1-pyridin-2-yl-3H-pyrazolo[3,4-d]pyrimidin-3-one
  参考文献：
  名称：

  [EN] CHIMERIC COMPOUNDS USEFUL IN TREATING DISEASES
  [FR] COMPOSÉS CHIMÉRIQUES UTILES DANS LE TRAITEMENT DE MALADIES

  摘要：

  The present invention is generally directed to dual inhibitors of poly (ADP-ribose) polymerase (PARP) and Wee1 useful in the treatment of diseases and disorders modulated by said enzymes and having the Formula (A): P-L-W (A), wherein P is new or known inhibitor of poly (ADP-ribose) polymerase (PARP); L is a linker that connected two active parts of the molecule and may be indeed the part of one of these active molecules; W is new or known inhibitor of Wee1; and in more specific aspect directed to compound of the Formula (I).

  公开号：

  WO2023064164A1

文献信息

• Dihydropyrazolopyrimidinone derivatives
  申请人：Sagara Takeshi

  公开号：US20070254892A1

  公开（公告）日：2007-11-01

  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.

  该发明涉及一般式（I）的化合物，其中Ar1是可选择取代的芳基或杂环芳基；R1是可选择取代的较低烷基、较低烯烃基、较低炔烃基或环状较低烷基基团，或是具有取代基的芳基、芳基烷基或杂环芳基；R2是氢原子、较低烷基基团、较低烯烃基团或较低炔烃基团，或是具有取代基的芳基、芳基烷基或杂环芳基；R3是氢原子或较低烷基基团；R4是氢原子、卤素原子、羟基、较低烷基基团或—N(R1k)R1m基团；T和U是氮原子或亚甲基基团等。该发明的化合物具有出色的Weel激酶抑制作用，因此在药物领域中特别适用于治疗各种癌症。
• COMPOSITIONS AND METHODS FOR TREATING CANCER
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20160008361A1

  公开（公告）日：2016-01-14

  The instant invention relates to methods for the treatment of WEE1 kinase associated cancer by administering a WEE1 inhibitor, wherein the WEE1 inhibitor is WEE1-1 or a pharmaceutically acceptable salt thereof, or WEE1-2 or a pharmaceutically acceptable salt thereof. In another embodiment, the invention relates to a method for treating a WEE1 kinase associated cancer patient, comprising administering a WEE1 inhibitor, wherein the cancer cells of said patient to be treated are characterized by low expression levels of PKMYT1.

  本发明涉及通过给予WEE1抑制剂治疗WEE1激酶相关癌症的方法，其中所述WEE1抑制剂为WEE1-1或其药学上可接受的盐，或者为WEE1-2或其药学上可接受的盐。在另一实施方案中，该发明涉及一种治疗WEE1激酶相关癌症患者的方法，包括给予WEE1抑制剂，其中待治疗患者的癌细胞具有低表达水平的PKMYT1。
• [EN] COMPOSITIONS AND METHODS FOR TREATING CANCER<br/>[FR] COMPOSITIONS ET MÉTHODES DE TRAITEMENT DU CANCER
  申请人：MERCK SHARP & DOHME

  公开号：WO2013039854A1

  公开（公告）日：2013-03-21

  The instant invention provides a method of treating a cancer, selected from the group consisting of breast cancer, melanoma, colorectal cancer, non-small cell lung cancer and ovarian cancer, by administering a combination of a WEE1 inhibitor and a CHK1 inhibitor, wherein the WEE1 inhibitor is MK-1775 or a pharmaceutically acceptable salt thereof, or MK-3652 or a pharmaceutically acceptable salt thereof, and the CHK1 inhibitor is MK-8776 or a pharmaceutically acceptable salt thereof, or SCH900444 or a pharmaceutically acceptable salt thereof.

  该瞬时发明提供了一种治疗癌症的方法，所述癌症包括乳腺癌、黑色素瘤、结直肠癌、非小细胞肺癌和卵巢癌，通过给予一种WEE1抑制剂和一种CHK1抑制剂的组合，其中WEE1抑制剂为MK-1775或其药用盐，或MK-3652或其药用盐，CHK1抑制剂为MK-8776或其药用盐，或SCH900444或其药用盐。
• [EN] COMPOSITIONS AND METHODS FOR TREATING CANCER<br/>[FR] COMPOSITIONS ET PROCÉDÉS DE TRAITEMENT DU CANCER
  申请人：MERCK SHARP & DOHME

  公开号：WO2014062454A1

  公开（公告）日：2014-04-24

  The instant invention relates to methods for the treatment of neuroblastoma by administering a combination of a WEE1 inhibitor and a CHK1 inhibitor, wherein the WEE1 inhibitor is WEE1-1 or a pharmaceutically acceptable salt thereof, or WEE1-2 or a pharmaceutically acceptable salt thereof, and the CHK1 inhibitor is CHK1-1 or a pharmaceutically acceptable salt thereof. In another embodiment, the invention relates to a method for treating a neuroblastoma patient, comprising administering a WEE1 inhibitor and a CHK1 inhibitor, wherein the cancer cells of said patient to be treated are characterized by amplified expression levels of MYCN.

  该瞬时发明涉及通过给予一种WEE1抑制剂和一种CHK1抑制剂的组合来治疗神经母细胞瘤的方法，其中WEE1抑制剂是WEE1-1或其药学上可接受的盐，或者是WEE1-2或其药学上可接受的盐，而CHK1抑制剂是CHK1-1或其药学上可接受的盐。在另一实施方案中，该发明涉及一种治疗神经母细胞瘤患者的方法，包括给予WEE1抑制剂和CHK1抑制剂，其中待治疗患者的癌细胞具有MYCN基因表达水平增高的特征。
• 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。