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2-甲基-5-硝基苯磺酸-2-[(6-溴咪唑并[1,2-a]吡啶-3-基)亚甲基]-1-甲基肼 | 372196-67-3

2-甲基-5-硝基苯磺酸-2-[(6-溴咪唑并[1,2-a]吡啶-3-基)亚甲基]-1-甲基肼
PIK-75
372196-67-3
C16H14N5O4SBr
452.28246
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-甲基-5-硝基苯磺酸-2-[(6-溴咪唑并[1,2-a]吡啶-3-基)亚甲基]-1-甲基肼结构式
10275789
简介
PIK-75 是一种可逆的 DNA-PK 和 p110α-选择性的抑制剂,抑制 DNA-PK,p110α 和 p110γ,IC50 分别为 2,5.8 和 76 nM。PIK-75 抑制 p110α 效果比抑制 p110β (IC50=1.3 μM) 高 200 多倍。PIK-75 诱导凋亡 (apoptosis)。
名称和标识符
MDL MFCD20526318
InChIKey QTHCAAFKVUWAFI-DJKKODMXSA-N
Inchi InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
SMILES BrC1=CN2C(/C=N/N(C)S(C3C=C([N+]([O-])=O)C=CC=3C)(=O)=O)=CN=C2C=C1
别名信息
- 中文别名 -
  • 2-甲基-5-硝基-1-苯磺酰[2-[(6-溴咪唑并[1,2-a]吡啶-3-基)亚甲基]-1-甲基肼]
  • 2-甲基-5-硝基苯磺酸-2-[(6-溴咪唑并[1,2-a]吡啶-3-基)亚甲基]-1-甲基肼
  • N-对羧基苯基-γ-酸
  • N-对羧基苯基-γ-酸
  • N-对羧基苯基-γ-酸
  • N'-((6-溴咪唑并[1,2-a]吡啶-3-基)亚甲基)-N,2-二甲基-5-硝基苯磺酰肼
- 英文别名 -
  • N'-((6-Bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
  • 2-Methyl-5-nitro-1-benzenesulfonic acid 2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylene]-1-methylhydrazide
  • (E)-N'-((6-Bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
  • Benzenesulfonic acid, 2-methyl-5-nitro-, 2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylene]-1-me...
  • Benzenesulfonic acid, 2-methyl-5-nitro-, 2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylene]-1-methylhydrazide
  • PIK 75
  • pik-75
  • PIK-75 (PIK 75,PI3-Kinase α Inhibitor VIII)
  • 1,4-Phthalazinedione,2,3-dihydro-2-methyl-5-nitro
  • 2'-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylidene]-1',2-dimethyl-5-nitrobenzenesulfonohydrazide
  • 2-Methyl-5-nitro-2,3-dihydro-phthalazin-1,4-dion
  • 2-methyl-5-nitro-2,3-dihydro-phthalazine-1,4-dione
  • 2-methyl-5-nitro-2-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylene]-1-methylhydrazidebenzenesulfonic acid
  • 8-Nitro-3-methyl-2,3-dihydro-1,4-phthalazindion
  • 9058I8S63D
  • 9058I8S63D
  • 9058I8S63D
  • N'-[(1E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylene]-N,2-dimethyl-5-nitrobenzenesulfonohydrazide hydrochloride
  • N'-[(1E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylene]-N,2-dimethyl-5-nitrobenzenesulfonohydrazide hydrochloride
  • N'-[(1E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylene]-N,2-dimethyl-5-nitrobenzenesulfonohydrazide hydrochloride
  • AS-16223
  • AS-16223
  • AS-16223
  • 372196-67-3
  • 372196-67-3
  • 372196-67-3
  • SCHEMBL6219739
  • SCHEMBL6219739
  • SCHEMBL6219739
  • N''-[(1E)-{6-bromoimidazo[1,2-a]pyridin-3-yl}methylidene]-N,2-dimethyl-5-nitrobenzene-1-sulfonohydrazide
  • N''-[(1E)-{6-bromoimidazo[1,2-a]pyridin-3-yl}methylidene]-N,2-dimethyl-5-nitrobenzene-1-sulfonohydrazide
  • N''-[(1E)-{6-bromoimidazo[1,2-a]pyridin-3-yl}methylidene]-N,2-dimethyl-5-nitrobenzene-1-sulfonohydrazide
  • N-[(E)-(6-Bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
  • N-[(E)-(6-Bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
  • N-[(E)-(6-Bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
  • 945619-31-8
  • 945619-31-8
  • 945619-31-8
  • Benzenesulfonic acid, 2-methyl-5-nitro-, 2-((6-bromoimidazo(1,2-a)pyridin-3-yl)methylene)-1-methylhydrazide
  • Benzenesulfonic acid, 2-methyl-5-nitro-, 2-((6-bromoimidazo(1,2-a)pyridin-3-yl)methylene)-1-methylhydrazide
  • AKOS016013588
  • Benzenesulfonic acid, 2-methyl-5-nitro-, 2-((6-bromoimidazo(1,2-a)pyridin-3-yl)methylene)-1-methylhydrazide
  • AKOS016013588
  • CHEBI:94827
  • AKOS016013588
  • CU-00000000277-1
  • CHEBI:94827
  • CHEBI:94827
  • J-502643
  • CU-00000000277-1
  • CU-00000000277-1
  • J-502643
  • J-502643
  • CHEMBL393525
  • CHEMBL393525
  • CHEMBL393525
  • SCHEMBL12700767
  • SCHEMBL12700767
  • SCHEMBL12700767
  • (Z)-N'-((6-bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
  • (Z)-N'-((6-bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
  • (Z)-N'-((6-bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
  • (E)-N-((6-Bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
  • (E)-N-((6-Bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
  • (E)-N-((6-Bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
  • (E)-N'-((6-bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
  • (E)-N'-((6-bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
  • (E)-N'-((6-bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
  • UNII-9058I8S63D
  • UNII-9058I8S63D
  • UNII-9058I8S63D
  • BRD-K49371609-003-01-2
  • BRD-K49371609-003-01-2
  • BRD-K49371609-003-01-2
  • PIK-75
  • PIK-75
  • PIK-75
  • BDBM25036
  • NCGC00346500-05
  • BDBM25036
  • BDBM25036
  • N'-((6-bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
  • NCGC00346500-05
  • NCGC00346500-05
  • PIK-75, 1
  • N'-((6-bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
  • N'-((6-bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
  • PIK-75, 1
  • HY-107834
  • PIK-75, 1
  • HY-107834
  • CS-0030710
  • HY-107834
  • CS-0030710
  • PIK-75 (hydrochloride)
  • CS-0030710
  • PIK-75 (hydrochloride)
  • PIK 75 hydrochloride
  • PIK-75 (hydrochloride)
  • PIK 75 hydrochloride
  • imidazopyridine derivative, 8c
  • PIK 75 hydrochloride
  • imidazopyridine derivative, 8c
  • imidazopyridine derivative, 8c
物化性质
实验特性
LogP 4.57200
PSA 121.24000
沸点 Not available
熔点 Not available
蒸气压 Not available
闪点 Not available
密度 Not available
计算特性
精确分子量 450.99500
氢键供体数量 0
氢键受体数量 7
可旋转化学键数量 4
同位素质量 450.99499g/mol
重原子数量 27
复杂度 679
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 1
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 3.8
拓扑分子极性表面积 121Ų
专业数据库参考
PubChemId 10275789
化合物详情(旧版)

SMILES

O=[N+]([O-])C1=CC(=C(C)C=C1)S(=O)(=O)N(C)N=CC2N3C(C=CC(Br)=C3)=NC=2

2-甲基-5-硝基苯磺酸-2-[(6-溴咪唑并[1,2-a]吡啶-3-基)亚甲基]-1-甲基肼推荐生产厂家
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