CAS: 934343-74-5; (R)-2-Amino-7-(4-Fluoro-2-(6-Methoxypyridin-2-yl)Phenyl)-4-Methyl-7,8-Dihydropyrido[4,3-D]Pyrimidin-5(6H)-One

• 英文名称(R)-2-Amino-7-(4-Fluoro-2-(6-Methoxypyridin-2-yl)Phenyl)-4-Methyl-7,8-Dihydropyrido[4,3-D]Pyrimidin-5(6H)-One
• 中文名称(R)-2-氨基-7-[4-氟-2-(6-甲氧基吡啶-2-基)苯基]-4-甲基-7,8-二氢-6H-吡啶并[4,3-d]嘧啶-5-酮
• IUPAC名称NVP-HSP990
• 其它别名(R)-2-Amino-7-[4-Fluoro-2-(6-Methoxypyridin-2-yl)Phenyl]-4-Methyl-7,8-Dihydro-6H-Pyrido[4,3-D]Pyrimidin-5-One; (7R)-2-Amino-7-[4-Fluoro-2-(6-Methoxy-2-Pyridinyl)Phenyl]-7,8-Dihydro-4-Methyl-Pyrido[4,3-D]Pyrimidin-5(6H)-One; (7R)-2-Amino-7-[4-Fluoro-2-(6-Methoxypyridin-2-yl)Phenyl]-4-Methyl-7,8-Dihydro-6H-Pyrido[4,3-D
• CAS编号934343-74-5
• MFCD编号:MFCD22628859
• FDA UNII编号:E0WBA7B62L
• 分子式:C20H18FN5O2
• 分子量:379.39
• 产品CID: 1973736
• 产品分类生物化工 → 抑制剂 → 细胞骨架(Cytoskeletal Signaling)

• 相似结构搜索
• InChIKey: WSMQUUGTQYPVPD-OAHLLOKOSA-N
• InChI=1S/C20H18FN5O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27)12-7-6-11(21)8-13(12)14-4-3-5-17(24-14)28-2/h3-8,15H,9H2,1-2H3,(H,25,27)(H2…
• 计算化学: 氢键受体数7.0氢键供体数2.0可旋转键数3.0

物理性质

• 密度1.3±0.1 g/cm3
• PSA:107.24
• LogP:1.44
• 折射率1.627
• 溶解性Insoluble In H2O; Insoluble In Etoh; ≥12.3 mg/mL In DMSO
• 外观形态类白色至黄色固体
• 储存条件储存在 -20°C
• 产品应用该化合物是一种新型的,强大的和选择性的HSP90抑制剂,其IC50值分别为0.6 NM和0.8 NM,对HSP90%Α和HSP-90Β分别具有0.6 NM和 0.8 NM;它诱发细胞循环阻截和吸附细胞循环;它有效抑制人类癌症细胞线和各种主要肿瘤种类的增长;它抑制了具有IC50数值的微粒起动细胞(GICS)的扩散,其IC50值约为10至500 NM不等;它通过降低CDK2和CDK4的浓度和增加与聚虫病有关的分子,破坏了细胞循环调节;它显示出体内的重大抗脉冲活动,包括持续降低对C-MET的调控,并在GTL-16 色素模型中提高HSP70的调制;它阻止由肿瘤致癌的HSSP90客户蛋白体驱动的多种人类基因瘤模型的生长;它显示,它具有高口服生物利用率的类似药物的药性和药性.

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H315-H319-H335
• 防范说明P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

上下游产品

合成工艺路线路线简述

• 1133971-47-7 + 1177369-34-4 = 934343-74-5
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: Dimethylacetamide; 30 Min,110 °C
  标题:Oxime Derivatives As Hsp90 Inhibitors And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Diseases
  参考文献:World Intellectual Property Organization]
  
  1034297-69-2 = 934343-74-5
  反应条件:1.1 Reagents: Sodium Carbonate Catalysts: Dichloro[1,1′-Bis(Diphenylphosphino)Ferrocene]Palladium(Ii) Dichloromethane Addu... Solvents: 1,2-Dimethoxyethane,Water; 19 H,Rt -> 100 °C
  标题:Design,Structure-Activity Relationship,And In Vivo Characterization Of The Development Candidate Nvp-Hsp990
  作者:Mcbride,Christopher M.; Levine,Barry; Xia,Yi; Bellamacina,Cornelia; Machajewski,Timothy; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(21) 页码:9124-9129]
  
  372963-51-4 = 934343-74-5
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Dichlorobis[(Diphenylphosphino)Ferrocene]Palladium Solvents: Dimethylacetamide,Water; 15 Min,120 °C; 120 °C -> Rt
  标题:Preparation Of 2-Amino-7,8-Dihydro-6H-Pyrido[4,3-D]Pyrimidin-5-Ones As Inhibitors Of Hsp90 For Treating Cellular Proliferative,Viral,Autoimmune,Cardiovascular,And Central Nervous System Diseases
  参考文献:World Intellectual Property Organization

海关参考信息

• 2902600000-乙苯
  2905110000-甲醇
  2912110000-甲醛
  2933310010-吡啶
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管