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HIT212037083
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HIT212037083
  • HIT ID:HIT212037083
  • Cas No:2260886-64-2
  • 常用名:JND3229
  • IUPAC:N-[(1r,4r)-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-1-yl]cyclohexyl]propanamide
    IUPAC:N-[(1r,4r)-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-1-yl]cyclohexyl]propanamide
  • InChI key:WVLWGBZNXIVAKC-YOCNBXQISA-N
  • 分子式:C33H41ClN8O2
  • 分子量:617.2
  • 氢键供体数 (HBD):2
  • 氢键受体数 (HBA):7
  • LogP:5.2853556
  • SMILES:CCC(=O)N[C@H]1CC[C@@H](CC1)N1C(=O)N(Cc2cnc(Nc3ccc(N4CCN(C)CC4)c(C)c3)nc12)c1ccccc1Cl |wU:5.4,wD:8.11,(-5.46,9.83,;-4.12,9.06,;-4.12,7.52,;-5.46,6.75,;-2.79,6.75,;-2.79,5.21,;-1.46,4.44,;-1.46,2.9,;-2.79,2.13,;-4.12,2.9,;-4.12,4.44,;-2.79,.59,;-4.12,-.17,;-5.46,.59,;-4.12,-1.71,;-2.79,-2.48,;-1.46,-1.71,;-.12,-2.48,;1.21,-1.71,;1.21,-.17,;2.55,.59,;3.88,-.17,;5.21,.59,;6.55,-.17,;6.55,-1.71,;7.88,-2.48,;9.21,-1.71,;10.55,-2.48,;10.55,-4.02,;11.88,-4.79,;9.21,-4.79,;7.88,-4.02,;5.21,-2.48,;5.21,-4.02,;3.88,-1.71,;-.12,.59,;-1.46,-.17,;-5.46,-2.48,;-5.46,-4.02,;-6.79,-4.79,;-8.12,-4.02,;-8.12,-2.48,;-6.79,-1.71,;-6.79,-.17,)|
    SMILES:CCC(=O)N[C@H]1CC[C@@H](CC1)N1C(=O)N(Cc2cnc(Nc3ccc(N4CCN(C)CC4)c(C)c3)nc12)c1ccccc1Cl |wU:5.4,wD:8.11,(-5.46,9.83,;-4.12,9.06,;-4.12,7.52,;-5.46,6.75,;-2.79,6.75,;-2.79,5.21,;-1.46,4.44,;-1.46,2.9,;-2.79,2.13,;-4.12,2.9,;-4.12,4.44,;-2.79,.59,;-4.12,-.17,;-5.46,.59,;-4.12,-1.71,;-2.79,-2.48,;-1.46,-1.71,;-.12,-2.48,;1.21,-1.71,;1.21,-.17,;2.55,.59,;3.88,-.17,;5.21,.59,;6.55,-.17,;6.55,-1.71,;7.88,-2.48,;9.21,-1.71,;10.55,-2.48,;10.55,-4.02,;11.88,-4.79,;9.21,-4.79,;7.88,-4.02,;5.21,-2.48,;5.21,-4.02,;3.88,-1.71,;-.12,.59,;-1.46,-.17,;-5.46,-2.48,;-5.46,-4.02,;-6.79,-4.79,;-8.12,-4.02,;-8.12,-2.48,;-6.79,-1.71,;-6.79,-.17,)|
  • JND3229 是一种可逆性的 EGFRC797S 抑制剂,对 EGFRL858R/T790M/C797S、EGFRWT 和 EGFRL858R/T790M 的 IC50 值分别为 5.8、6.8 和 30.5 nM。JND3229 具有较好的抗增殖活性,能有效地抑制体内肿瘤的生长。JND3229 可用于癌症,尤其是非小细胞癌的研究。
市场产品/服务共显示2个结果
  • 供应商
    TargetMolSC
    规格
    货期
    1-3天
    纯度
    98.75%
    ¥ 363.00
    1
  • 供应商
    BIONET-Key OrganicsBB
    规格
    货期
    4-6周
    纯度
    -
    待询
    1

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