小分子和化合物库

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6 项目

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  1. 2-Cl-IB-MECA,A3激动剂
    CAS号 : 163042-96-4        Compound CID : 3035850
    分子式: C18H18ClIN6O4        分子量: 544.73
    IUPAC Name: (2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
    SMILES: CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)I)O)O
    InChIKey: IPSYPUKKXMNCNQ-PFHKOEEOSA-N
    InChI: InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1
  2. GSK0660,PPARδ拮抗剂
    CAS号 : 1014691-61-2        Compound CID : 46233311
    分子式: C19H18N2O5S2        分子量: 418.49
    IUPAC Name: methyl 3-[(4-anilino-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylate
    SMILES: COC1=C(C=CC(=C1)NC2=CC=CC=C2)NS(=O)(=O)C3=C(SC=C3)C(=O)OC
    InChIKey: NDFKBGWLUHKMFY-UHFFFAOYSA-N
    InChI: InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
  3. MC 1742,I和IIb类HDAC抑制剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1776116-74-5        Compound CID : 136173089
    分子式: C21H21N3O3S        分子量: 395.47
    IUPAC Name: N-hydroxy-5-[[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentanamide
    SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=O)NC(=N3)SCCCCC(=O)NO
    InChIKey: AOFVDNFTELWRHV-UHFFFAOYSA-N
    InChI: InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
  4. BRD 9757,HDAC6抑制剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1423058-85-8        Compound CID : 71655802
    分子式: C6H9NO2        分子量: 127.14
    IUPAC Name: N-hydroxycyclopentene-1-carboxamide
    SMILES: C1CC=C(C1)C(=O)NO
    InChIKey: RYYGSXXWQSXKRP-UHFFFAOYSA-N
    InChI: InChI=1S/C6H9NO2/c8-6(7-9)5-3-1-2-4-5/h3,9H,1-2,4H2,(H,7,8)
  5. (-)-曲古柳菌素A
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 122292-85-7        Compound CID : 13507024
    分子式: C17H22N2O3        分子量: 302.37
    IUPAC Name: (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
    SMILES: CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C
    InChIKey: RTKIYFITIVXBLE-LEJRBOCMSA-N
    InChI: InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m0/s1
  6. 贝利司他
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 866323-14-0        Compound CID : 6918638
    分子式: C15H14N2O4S        分子量: 318.35
    IUPAC Name: (E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
    SMILES: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NO
    InChIKey: NCNRHFGMJRPRSK-MDZDMXLPSA-N
    InChI: InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
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