2-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethan-1-ol | 732236-94-1

• 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-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethan-1-ol
• 英文别名: 2,5-Diazabicyclo[2.2.1]heptane-2-ethanol,(1s,4s)-(9ci)；2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
• CAS: 732236-94-1
• 化学式: C₇H₁₄N₂O
• 分子量: 142.201
• InChiKey: CCRSBIBFTKSXFZ-BQBZGAKWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethan-1-ol 在 RuPhos-Pd-G₄ precatalys 、 potassium carbonate 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 N-甲基吡咯烷酮 为溶剂， 反应 30.17h， 生成 2-[(1S,4S)-5-(4-methyl-6-{[2-(1-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino}pyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethan-1-ol
  参考文献：
  名称：

  [EN] INHIBITORS OF HPK1 AND METHODS OF USE THEREOF
  [FR] INHIBITEURS DE HPK1 ET LEURS MÉTHODES D'UTILISATION

  摘要：

  Disclosed herein are compounds that are Hematopoietic Progenitor Kinase 1 (HPK1) inhibitors having a structure according to Formula I, and compositions containing those compounds. Methods of preparing the compounds, and methods of using the compounds for the treatment of diseases, disorders, or conditions are also described.

  公开号：

  WO2024015251A1
• 作为产物：
  描述：

  tert-butyl (1S,4S)-5-(2-hydroxyethyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 生成 2-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethan-1-ol
  参考文献：
  名称：

  [EN] INHIBITORS OF HPK1 AND METHODS OF USE THEREOF
  [FR] INHIBITEURS DE HPK1 ET LEURS MÉTHODES D'UTILISATION

  摘要：

  Disclosed herein are compounds that are Hematopoietic Progenitor Kinase 1 (HPK1) inhibitors having a structure according to Formula I, and compositions containing those compounds. Methods of preparing the compounds, and methods of using the compounds for the treatment of diseases, disorders, or conditions are also described.

  公开号：

  WO2024015251A1

文献信息

• 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives
  申请人：——

  公开号：US20030060627A1

  公开（公告）日：2003-03-27

  8-phenyl-6,9-dihydro-[1,2,4]triazolo[3,4-i]purin-5-one derivatives of formula (I): 1 wherein: R 1 , R 2 and R 3 each independently represent: hydrogen; an alkyl group which is unsubstituted or substituted by a hydroxy, alkoxy, alkylthio, amino, mono- or di-alkylamino, hydroxycarbonyl, alkoxycarbonyl, acylamino, carbamoyl or alkylcarbamoyl group; or a group of formula —(CH 2 ) n —R 6 wherein n is an integer from 0 to 4 and R 6 represents: a cycloalkyl group; a phenyl group which may be unsubstituted or substituted by one or more halogen atoms or alkyl, hydroxy, alkylenedioxy, alkoxy, amino, mono- or di-alkylamino, nitro, cyano or trifluoromethyl groups; or a 3 to 7-membered ring comprising from 1 to 4 heteroatoms selected from nitrogen, oxygen and sulphur, which ring may be unsubstituted or substituted by one or more halogen atoms or hydroxy, phenyl, alkoxycarbonyl, amino, mono- alkylamino, di-alkylamino or hydroxycarbonyl groups or one or more alkyl groups which may in turn be unsubstituted or substituted by one or more halogen atoms or hydroxy, alkoxy, hydroxyalkoxy, phenyl, alkoxycarbonyl, amino, mono- or di-alkylamino or hydroxycarbonyl groups; either R 4 and R 5 together with the nitrogen atom to which they are attached form a 3 to 7-membered ring comprising a total of from 1 to 4 heteroatoms selected from nitrogen, oxygen and sulphur, which ring may be unsubstituted or substituted by one or more halogen atoms or hydroxy, oxoalkyl, carbamoyl, hydroxycarbonyl, alkoxycarbonyl, trifluoroacetyl, amino, mono- or di-alkylamino groups or an alkylene group, or one or more alkyl, alkenyl or alkynyl groups which may in turn be unsubstituted or substituted by one or more halogen atoms or hydroxy, alkoxy, hydroxyalkoxy, amino or mono- or di-alkylamino groups, or R 4 and R 5 independently represent hydrogen, an amidino group or an alkyl, alkenyl or alkynyl group which may be unsubstituted or substituted by one or more halogen atoms or hydroxy, alkoxy, alkylthio, amino, mono- or di-alkylamino groups, or R 4 represents hydrogen or an alkyl group and R 5 represents a group of formula —(CH 2 ) n —R 7 wherein n is an integer from 0 to 4 and R 7 represents: a cycloalkyl group which may be unsubstituted or substituted by one or more halogen atoms or alkyl, hydroxy, alkylenedioxy, alkoxy, amino, mono- or di-alkylamino, alkylamido, nitro, cyano or trifluoromethyl groups; a phenyl group which may be unsubstituted or substituted by one or more halogen atoms or alkyl, hydroxy, alkylenedioxy, alkoxy, amino, mono- or di-alkylamino, nitro, cyano or trifluoromethyl groups; or a 3 to 7-membered ring comprising from 1 to 4 heteroatoms selected from nitrogen, oxygen and sulphur, which ring may be unsubstituted or substituted by one or more halogen atoms or hydroxy, alkoxy, phenyl, alkoxycarbonyl, amino, mono-alkylamino, di-alkylamino or hydroxycarbonyl groups or one or more alkyl groups which may be unsubstituted or substituted by one or more halogen atoms or hydroxy, alkoxy, hydroxyalkoxy, phenyl, alkoxycarbonyl, amino, mono- or di-alkylamino or hydroxycarbonyl groups; or a pharmaceutically acceptable salt thereof; processes for their preparation, pharmaceutical compositions containing them and their use as PDE 5 inhibitors.

  8-苯基-6,9-二氢-[1,2,4]三唑[3,4-i]嘧啶-5-酮衍生物的化学式（I）如下： 其中： R1、R2和R3各自独立表示：氢；未取代或取代的烷基基团，取代基可以是羟基、烷氧基、烷基硫基、氨基、单烷基或双烷基氨基、羟基羰基、烷氧羰基、酰胺基、氨基甲酰基或烷基甲酰基基团；或者化学式—(CH2)n—R6的基团，其中n是从0到4的整数，R6表示：环烷基基团；苯基基团，可以未取代或取代，取代基可以是一个或多个卤素原子或烷基、羟基、烷基二氧基、烷氧基、氨基、单烷基或双烷基氨基、硝基、氰基或三氟甲基基团；或者由1到4个异原子（氮、氧和硫）组成的3到7元环，该环可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、苯基、烷氧羰基、氨基、单烷基氨基、双烷基氨基或羟基羰基基团或一个或多个烷基基团，该烷基基团可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、烷氧基、羟基烷氧基、苯基、烷氧羰基、氨基、单烷基或双烷基氨基或羟基羰基基团； R4和R5可以与它们连接的氮原子一起形成一个由1到4个异原子（氮、氧和硫）组成的3到7元环，该环可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、氧代烷基、氨基甲酰基、羟基羰基、烷氧羰基、三氟乙酰基、氨基、单烷基或双烷基氨基基团或一个烷基、烯基或炔基基团，该基团可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、烷氧基、羟基烷氧基、氨基或单烷基或双烷基氨基基团，或者R4和R5各自独立表示氢、酰胺基团或未取代或取代的烷基、烯基或炔基基团，取代基可以是一个或多个卤素原子或羟基、烷氧基、烷基硫基、氨基、单烷基或双烷基氨基基团，或者R4表示氢或烷基基团，R5表示化学式—( )n—R7的基团，其中n是从0到4的整数，R7表示：环烷基基团，可以未取代或取代，取代基可以是一个或多个卤素原子或烷基、羟基、烷基二氧基、烷氧基、氨基、单烷基或双烷基氨基、烷基酰胺基、硝基、氰基或三氟甲基基团；苯基基团，可以未取代或取代，取代基可以是一个或多个卤素原子或烷基、羟基、烷基二氧基、烷氧基、氨基、单烷基或双烷基氨基、硝基、氰基或三氟甲基基团；或者由1到4个异原子（氮、氧和硫）组成的3到7元环，该环可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、烷氧基、苯基、烷氧羰基、氨基、单烷基氨基、双烷基氨基或羟基羰基基团或一个或多个烷基基团，该烷基基团可以未取代或取代，取代基可以是一个或多个卤素原子或羟基、烷氧基、羟基烷氧基、苯基、烷氧羰基、氨基、单烷基或双烷基氨基或羟基羰基基团； 或其药学上可接受的盐；它们的制备方法、含有它们的药物组合物以及它们作为PDE 5抑制剂的用途。
• [EN] 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS<br/>[FR] COMPOSÉS 1H-PYRAZOLO[4,3-D]PYRIMIDINE UTILES EN TANT QU'AGONISTES DU RÉCEPTEUR DE TYPE TOLL 7 (TLR7)
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2021154668A1

  公开（公告）日：2021-08-05

  Compounds according to formula I are useful as agonists of Toll-like receptor 7 (TLR7). (I) Such compounds can be used in cancer treatment, especially in combination with an anti-cancer immunotherapy agent, or as a vaccine adjuvant.

  根据公式I，化合物可用作Toll样受体7（TLR7）的激动剂。这些化合物可用于癌症治疗，特别是与抗癌免疫疗法药物联合使用，或作为疫苗佐剂。
• 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES
  申请人：Almirall Prodesfarma, S.A.

  公开号：EP1198464B1

  公开（公告）日：2003-10-08
• US7034016B2
  申请人：——

  公开号：US7034016B2

  公开（公告）日：2006-04-25