5-(2-aminocyclohexyl)amino-7-(2-hydroxy-3-methoxybenzyl)amino-3-isopropylpyrazolo[4,3-d]pyrimidine | 607726-93-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-(2-aminocyclohexyl)amino-7-(2-hydroxy-3-methoxybenzyl)amino-3-isopropylpyrazolo[4,3-d]pyrimidine
• 英文别名: 2-[[[5-[(2-aminocyclohexyl)amino]-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]methyl]-6-methoxyphenol
• CAS: 607726-93-2
• 化学式: C₂₂H₃₁N₇O₂
• 分子量: 425.534
• InChiKey: PJECCDURIFEEFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  134
• 氢给体数：
  5
• 氢受体数：
  8

文献信息

• Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy
  申请人：Moravcova Daniela

  公开号：US20050080097A1

  公开（公告）日：2005-04-14

  The invention relates to 3-, 5-, 7-trisubstituted pyrazolo[4,3-d]pyrimidines represented by the general formula I and pharmaceutically acceptable salts thereof, wherein R3 is an optionally substituted alkyl, cycloalkyl, cycloheteroalkyl, cycloalkyl alkyl, aryl or alkylaryl group; R5 is halogen, —NHNH 2 , —NHOH, NHCONH 2 , guanylo (NH—C(NH)NH 2 ) an optionally substituted C 1 -C 6 alkyl, alkenyl, alkinyl, C 3 -C 15 cycloalkyl, R f (C 3 -C 15 cycloalkyl), heterocycle, heteroalkyl, aryl, heteroaryl, arylalkyl, cycloheteroalkyl, cycloheteroalkyl alkyl, heteroarylalkyl group, the group —C(O)—R a , —C(O)NR b R c , —SO 3 R d , or —NHC(O)R e , wherein R a and R f are an optionally substituted C 1 -C 6 alkyl, alkenyl, or alkinyl group, R b , R c and R d are independently selected from the group consisting of H, optionally substituted C 1 -C 6 alkyl, alkenyl, or alkinyl group, and R e is a hydroxy, amino, alkoxy, alkylamino, optionally substituted C 1 -C 6 alkyl, alkenyl or alkinyl group; or the group —X—R 5′ , wherein X is —NH—, —O—, —S— or —N(alkyl)- and R 5 ′ is hydrogen, an optionally substituted C 1 -C 6 alkyl, alkenyl, alkinyl, C 3 -C 15 cycloalkyl, Rf(C 3 -C 15 cycloalkyl), aryl, heterocycle, hetero C 1 -C 6 alkyl, arylalkyl, heteroaryl, cycloheteroalkyl, cycloheteroalkyl alkyl, or heteroarylalkyl group, the group —C(O)—R a , —C(O)NR b R c , —SO 3 R d , or —NHC(O)R e , wherein R a , R b , R c , R d , R e and R f have the above meaning, and R7 is halogen, —NHNH 2 , NHOH, NHCONH 2 , guanylo (NH—C(NH)NH 2 ) or the group —X—R 7′ , wherein X has the above meaning and the meaning of R 7′ is as defined for R 5′ .

  本发明涉及一种由通式I表示的3-，5-，7-三取代吡唑并[4,3-d]嘧啶及其药学上可接受的盐，其中R3是可选取代的烷基，环烷基，环杂烷基，环烷基烷基，芳基或烷基芳基基团；R5是卤素，—NHNH2，—NHOH，NHCONH2，鸟苷基（NH—C(NH)NH2）可选取代的C1-C6烷基，烯基，炔基，C3-C15环烷基，Rf（C3-C15环烷基），杂环，杂烷基，芳基，杂芳基，芳基烷基，环杂烷基，环杂烷基烷基，杂芳基烷基基团，基团—C(O)—Ra，—C(O)NRbRc，—SO3Rd，或—NHC(O)Re，其中Ra和Rf是可选取代的C1-C6烷基，烯基或炔基，Rb，Rc和Rd是独立选择自H，可选取代的C1-C6烷基，烯基或炔基，Re是羟基，氨基，烷氧基，烷基氨基，可选取代的C1-C6烷基，烯基或炔基；或基团—X—R5′，其中X是—NH—，—O—，—S—或—N（烷基）-，R5′是氢，可选取代的C1-C6烷基，烯基，炔基，C3-C15环烷基，Rf（C3-C15环烷基），芳基，杂环，杂C1-C6烷基，芳基烷基，杂芳基，环杂烷基，环杂烷基烷基，或杂芳基烷基基团，基团—C(O)—Ra，—C(O)NRbRc，—SO3Rd，或—NHC(O)Re，其中Ra，Rb，Rc，Rd，Re和Rf具有上述含义，R7是卤素，—NHNH2，NHOH，NHCONH2，鸟苷基（NH—C(NH)NH2）或基团—X—R7′，其中X具有上述含义，R7′的含义如R5′所定义。
• Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy
  申请人：Ustav Experimentalni Botaniky AV CR, v.v.i. (Institute of Experimental Botany Academy of Sciences of the Czech Republic, PRO)

  公开号：EP1348707B1

  公开（公告）日：2010-08-25
• US7745450B2
  申请人：——

  公开号：US7745450B2

  公开（公告）日：2010-06-29
• [EN] NOVEL PYRAZOLO[4,3-D]PYRIMIDINES, PROCESSES FOR THEIR PREPARATION AND METHODS FOR THERAPY<br/>[FR] NOUVEAUX PYRAZOLO[4,3-D]PYRIMIDINES, PROCEDES POUR LEUR PREPARATION ET METHODES POUR UNE THERAPIE
  申请人：USTAV EX BOTAN AV CR I OF EX B

  公开号：WO2003082872A1

  公开（公告）日：2003-10-09

  The invention relates to 3-, 5-, 7-trisubstituted pyrazolo[4,3-d]pyrimidines represented by the general formula (I), and pharmaceutically acceptable salts thereof, wherein, R3 is an optionally substituted alkyl, cycloalkyl, cycloheteroalkyl, cycloalkyl alkyl, aryl or alkylaryl group; R5 is halogen, -NHNH2, -NHOH, NHCONH2, guanylo (NH-C(NH)NH2) an optionally substituted C1-C6 alkyl, alkenyl, alkinyl, C3-C15 cycloalkyl, Rf (C3-C15 cycloalkyl), heterocycle, heteroalkyl, aryl, heteroaryl, arylalkyl, cycloheteroalkyl, cycloheteroalkyl alkyl, heteroarylalkyl group, the group -C(O)-Ra, -C(O)NRbRc - SO3Rd, or -NHC(O)Re, wherein Ra and Rf are an optionally substituted C1-C6 alkyl, alkenyl, or alkinyl group, Rb, Rc and Rd are independently selected from the group consisting of H, optionally substituted C1-C6 alkyl, alkenyl, or alkinyl group, and Re is a hydroxy, amino, alkoxy, alkylamino, optionally substituted C1-C6 alkyl, alkenyl or alkinyl group; or the group -X-R5', wherein X is -NH-, -O-, -S- or -N(alkyl)- and R5' is hydrogen, an optionally substituted C1-C6 alkyl, alkenyl, alkinyl, C3-C15 cycloalkyl, Rf(C3-C15 cycloalkyl), aryl, heterocycle, hetero C1-C6 alkyl, arylalkyl, heteroaryl, cycloheteroalkyl, cycloheteroalkyl alkyl, or heteroarylalkyl group, the group -C(O)-Ra, -C(O)NRbRc, -SO3Rd, or -NHC(O)Re, wherein Ra, Rb, Rc, Rd, Re and Rf have the above meaning, and R7 is halogen, -NHNH2, NHOH, NHCONH2, guanylo (NH-C(NH)NH2) or the group -X-R7, wherein X has the above meaning and the meaning of R7, is as defined for R5'.