小分子和化合物库

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显示第112个,产品总数58

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  1. 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
  2. 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)
  3. 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
  4. 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
  5. TPPB,PKC激活剂
      规格或纯度 :
    • ≥99%
    CAS号 : 497259-23-1        Compound CID : 9935767
    分子式: C27H30F3N3O3        分子量: 501.54
    IUPAC Name: (2E,4E)-N-[(2S,5S)-5-(hydroxymethyl)-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-8-yl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
    SMILES: CC(C)C1C(=O)NC(CC2=C(N1C)C=CC(=C2)NC(=O)C=CC=CC3=CC=C(C=C3)C(F)(F)F)CO
    InChIKey: WOLVEMPZUIFSII-IHHOKICGSA-N
    InChI: InChI=1S/C27H30F3N3O3/c1-17(2)25-26(36)32-22(16-34)15-19-14-21(12-13-23(19)33(25)3)31-24(35)7-5-4-6-18-8-10-20(11-9-18)27(28,29)30/h4-14,17,22,25,34H,15-16H2,1-3H3,(H,31,35)(H,32,36)/b6-4+,7-5+/t22-,25-/m0/s1
  6. Bryostatin 1,蛋白激酶C激活剂
      规格或纯度 :
    • ≥98%
    CAS号 : 83314-01-6        Compound CID : 5280757
    分子式: C47H68O17        分子量: 905.03
    IUPAC Name: [(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate
    SMILES: CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4CC(=CC(=O)OC)CC(O4)C=CC(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O
    InChIKey: MJQUEDHRCUIRLF-TVIXENOKSA-N
    InChI: InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1
  7. 佛波醇 12,13-二丁酸酯
      规格或纯度 :
    • ≥98%
    CAS号 : 37558-16-0        Compound CID : 37783
    分子式: C28H40O8        分子量: 504.61
    IUPAC Name: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-butanoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] butanoate
    SMILES: CCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCC)O)C
    InChIKey: BQJRUJTZSGYBEZ-YVQNUNKESA-N
    InChI: InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1
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