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N-[3-[1,4-二氢-1-甲基-7-[(6-甲基-3-吡啶基)氨基]-2-氧代嘧啶并[4,5-D]嘧啶-3(2H)-基]-4-甲基苯基]-3-(三氟甲基)苯甲酰胺 | 839706-07-9

N-[3-[1,4-二氢-1-甲基-7-[(6-甲基-3-吡啶基)氨基]-2-氧代嘧啶并[4,5-D]嘧啶-3(2H)-基]-4-甲基苯基]-3-(三氟甲基)苯甲酰胺
GNF-7
839706-07-9
C28H24F3N7O2
547.5310754776
简介
GNF-7 是一种多重激酶抑制剂。GNF-7 是 Bcr-Abl 的抑制剂,对 Bcr-AblWT 和 Bcr-AblT315I 作用的 IC50 值分别为 133 nM 和 61 nM。GNF-7 对 ACK1 和 GCK 也具有抑制活性,IC50 分别为 25 nM 和 8 nM。GNF-7 可用于血液恶性肿瘤的研究。
名称和标识符
MDL MFCD18251569
InChIKey SZNYUUZOQHNEKB-UHFFFAOYSA-N
Inchi 1S/C28H24F3N7O2/c1-16-7-9-21(34-25(39)18-5-4-6-20(11-18)28(29,30)31)12-23(16)38-15-19-13-33-26(36-24(19)37(3)27(38)40)35-22-10-8-17(2)32-14-22/h4-14H,15H2,1-3H3,(H,34,39)(H,33,35,36)
SMILES O=C(C1C=C(C(F)(F)F)C=CC=1)NC1C=C(N2CC3C(=NC(NC4C=CC(C)=NC=4)=NC=3)N(C)C2=O)C(C)=CC=1
别名信息
- 中文别名 -
  • GNF-7 抑制剂
  • N-[3-[1,4-二氢-1-甲基-7-[(6-甲基-3-吡啶基)氨基]-2-氧代嘧啶并[4,5-D]嘧啶-3(2H)-基]-4-甲基苯基]-3-(三氟甲基)苯甲酰胺
- 英文别名 -
  • BenzaMide, N-[3-[1,4-dihydro-1-Methyl-7-[(6-Methyl-3-pyridinyl)aMino]-2-oxopyriMido[4,5-d]pyriMidin-3(2H)-yl]-4-Methylphenyl]-3-(trifluoroMethyl)-
  • BENZAMIDE, N-[3-[1,4-DIHYDRO-1-METHYL-7-[(6-METHYL-3-PYRIDINYL)AMINO]-2-OXOPYRIMIDO[4,5-D]PYRIMIDIN-3(2H)-YL]-4-METHYLP...
  • BenzaMide, N-[3-[1,4-dihydro-1-Methyl-7-[(6-Methyl-3-pyridinyl)aMino]-2-oxopyriMido[4,5-d]pyriMidin-3(2H)-yl]-4-Methylphenyl]
  • GNF 7
  • GNF-7
  • N-[4-methyl-3-[1-methyl-7-[(6-methylpyridin-3-yl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
  • N-(4-Methyl-3-(1-methyl-7-(6-methylpyridin-3-ylamino)-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
  • N-[3-[1,4-Dihydro-1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl]-3-(trifluoromethyl)-benzamide
  • N-[3-[1,4-Dihydro-1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (ACI)
  • HG-4-34-01
物化性质
计算特性
氢键供体数量 2
氢键受体数量 9
可旋转化学键数量 7
重原子数量 40
合成路线

合成路线:6 步

反应条件:
参考文献:
First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia
Cho, Hanna; et al, Journal of Medicinal Chemistry, 2018, 61(18), 8353-8373

合成路线:5 步

反应条件:
参考文献:
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

合成路线:7 步

反应条件:
参考文献:
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

合成路线:6 步

反应条件:
参考文献:
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

合成路线:6 步

反应条件:
参考文献:
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

合成路线:4 步

反应条件:
参考文献:
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

合成路线:1 步

反应条件:
参考文献:
First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia
Cho, Hanna; et al, Journal of Medicinal Chemistry, 2018, 61(18), 8353-8373

合成路线:2 步

反应条件:
参考文献:
First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia
Cho, Hanna; et al, Journal of Medicinal Chemistry, 2018, 61(18), 8353-8373

合成路线:5 步

反应条件:
参考文献:
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

合成路线:2 步

反应条件:
参考文献:
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

合成路线:3 步

反应条件:
参考文献:
First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia
Cho, Hanna; et al, Journal of Medicinal Chemistry, 2018, 61(18), 8353-8373

合成路线:4 步

反应条件:
参考文献:
First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia
Cho, Hanna; et al, Journal of Medicinal Chemistry, 2018, 61(18), 8353-8373

合成路线:5 步

反应条件:
参考文献:
First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia
Cho, Hanna; et al, Journal of Medicinal Chemistry, 2018, 61(18), 8353-8373

合成路线:1 步

反应条件:
参考文献:
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

合成路线:3 步

反应条件:
参考文献:
A Type-II Kinase Inhibitor Capable of Inhibiting the T315I "Gatekeeper" Mutant of Bcr-Abl
Choi, Hwan Geun; et al, Journal of Medicinal Chemistry, 2010, 53(15), 5439-5448

合成路线:7 步

反应条件:
参考文献:
First SAR Study for Overriding NRAS Mutant Driven Acute Myeloid Leukemia
Cho, Hanna; et al, Journal of Medicinal Chemistry, 2018, 61(18), 8353-8373
相关文献
化合物详情(旧版)

SMILES:CC1=NC=C(C=C1)NC2N=C3C(=CN=2)CN(C(=O)N3C)C4=C(C)C=CC(NC(=O)C5=CC(=CC=C5)C(F)(F)F)=C4
ExSMILES:547.19462
InChI:
InChIKey:
IUPACName:
分子式:FormulaHtmlC28H24N7O2F3

N-[3-[1,4-二氢-1-甲基-7-[(6-甲基-3-吡啶基)氨基]-2-氧代嘧啶并[4,5-D]嘧啶-3(2H)-基]-4-甲基苯基]-3-(三氟甲基)苯甲酰胺推荐生产厂家
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