小分子和化合物库

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显示第112个,产品总数60

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  1. AP26113
      规格或纯度 :
    • ≥98%
    CAS号 : 1197958-12-5        Compound CID : 57390074
    分子式: C26H34ClN6O2P        分子量: 529.01
    IUPAC Name: 5-chloro-2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
    SMILES: CN(C)C1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC
    InChIKey: OVDSPTSBIQCAIN-UHFFFAOYSA-N
    InChI: InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)
  2. Orteronel,抑制剂
      规格或纯度 :
    • ≥99%
    CAS号 : 566939-85-3        Compound CID : 9796590
    分子式: C18H17N3O2        分子量: 307.35
    IUPAC Name: 6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide
    SMILES: CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O
    InChIKey: OZPFIJIOIVJZMN-SFHVURJKSA-N
    InChI: InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1
  3. TAK-700 (Orteronel),抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 426219-18-3        Compound CID : 9883029
    分子式: C18H17N3O2        分子量: 307.35
    IUPAC Name: 6-(7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl)-N-methylnaphthalene-2-carboxamide
    SMILES: CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O
    InChIKey: OZPFIJIOIVJZMN-UHFFFAOYSA-N
    InChI: InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)
  4. 16,17-alpha环氧孕烯醇酮
      规格或纯度 :
    • ≥97%
    CAS号 : 974-23-2       
    分子式: C21H30O3        分子量: 330.46
    IUPAC Name: 1-[(1R,2S,4R,6S,7S,10S,11R,14S)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-6-yl]ethanone
    SMILES: CC(=O)C12C(O1)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C
    InChIKey: UQVIXFCYKBWZPJ-XXHSLLPRSA-N
    InChI: InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1
  5. GSK1904529A,IGF-1R / IR酪氨酸激酶抑制剂
    CAS号 : 1089283-49-7        Compound CID : 25124816
    分子式: C44H47F2N9O5S        分子量: 851.96
    IUPAC Name: N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide
    SMILES: CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F
    InChIKey: MOSKATHMXWSZTQ-UHFFFAOYSA-N
    InChI: InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
  6. 16,17-环氧黄体酮
      规格或纯度 :
    • ≥98%
    CAS号 : 1097-51-4       
    分子式: C21H28O3        分子量: 328.45
    IUPAC Name: (1R,2S,4R,6S,7S,10S,11R)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-14-one
    SMILES: CC(=O)C12C(O1)CC3C2(CCC4C3CCC5=CC(=O)CCC45C)C
    InChIKey: LHNVKVKZPHUYQO-SRWWVFQWSA-N
    InChI: InChI=1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
  7. GSK1904529A
      规格或纯度 :
    • 10mM in DMSO
    CAS号 : 1089283-49-7(DMSO)       
    分子式: C44H47F2N9O5S        分子量: 851.96
    SMILES: CCC1=CC(=C(OC)C=C1N2CCC(CC2)N3CCN(CC3)[S](C)(=O)=O)NC4=NC(=CC=N4)C5=C(N=C6C=CC=C[N]56)C7=CC(=C(OC)C=C7)C(=O)NC8=C(F)C=CC=C8F
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