化学生物学

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  1. 马西替坦原料药杂质B
      规格或纯度 :
    • ≥98%
    CAS号 : 441798-25-0        Compound CID : 21041267
    分子式: C17H16Br2N6O4S        分子量: 557.93
    IUPAC Name: 5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(methylsulfamoyl)pyrimidin-4-amine
    SMILES: CNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br
    InChIKey: BRSITRUZDCGGKH-UHFFFAOYSA-N
    InChI: InChI=1S/C17H16Br2N6O4S/c1-20-30(26,27)25-15-14(11-2-4-12(18)5-3-11)16(24-10-23-15)28-6-7-29-17-21-8-13(19)9-22-17/h2-5,8-10,20H,6-7H2,1H3,(H,23,24,25)
  2. 外消旋托法替尼
      规格或纯度 :
    • ≥97%
    CAS号 : 1259404-17-5        Compound CID : 9926791
    分子式: C16H20N6O        分子量: 312.377
    IUPAC Name: 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
    SMILES: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N
    InChIKey: UJLAWZDWDVHWOW-YPMHNXCESA-N
    InChI: InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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