小分子和化合物库

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显示第112个,产品总数69

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  1. 槲皮素 3-β-D-葡萄糖甙
      规格或纯度 :
    • ≥90%(HPLC)
    CAS号 : 482-35-9        Compound CID : 5280804
    分子式: C21H20O12        分子量: 464.38
    IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
    InChIKey: OVSQVDMCBVZWGM-QSOFNFLRSA-N
    InChI: InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
  2. (S)-AMPA
      规格或纯度 :
    • ≥98%
    CAS号 : 83643-88-3       
    分子式: C7H10N2O4        分子量: 186.17
    IUPAC Name: (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
    SMILES: CC1=C(C(=O)NO1)CC(C(=O)O)N
    InChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-N
    InChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
  3. SP-2509,组蛋白脱甲基酶LSD1抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 1423715-09-6        Compound CID : 135743577
    分子式: C19H20ClN3O5S        分子量: 437.9
    IUPAC Name: N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
    SMILES: CC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)C3=C(C=CC(=C3)Cl)O
    InChIKey: NKUDGJUBIVEDTF-FYJGNVAPSA-N
    InChI: InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
  4. Pulrodemstat benzenesulfonate
      规格或纯度 :
    • ≥98%
    CAS号 : 2097523-60-7        Compound CID : 129096972
    分子式: C30H29F2N5O5S        分子量: 609.64
    IUPAC Name: 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxopyrimidin-4-yl]-2-fluorobenzonitrile;benzenesulfonic acid
    SMILES: CN1C(=O)C(=C(N=C1N2CCC(CC2)N)C3=CC(=C(C=C3)C#N)F)C4=CC(=C(C=C4)OC)F.C1=CC=C(C=C1)S(=O)(=O)O
    InChIKey: AWZCBGWZNHQCIZ-UHFFFAOYSA-N
    InChI: InChI=1S/C24H23F2N5O2.C6H6O3S/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31;7-10(8,9)6-4-2-1-3-5-6/h3-6,11-12,17H,7-10,28H2,1-2H3;1-5H,(H,7,8,9)
  5. Domatinostat (4SC-202)
      规格或纯度 :
    • ≥97%
    CAS号 : 910462-43-0        Compound CID : 15985904
    分子式: C23H21N5O3S        分子量: 447.51
    IUPAC Name: (E)-N-(2-aminophenyl)-3-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
    SMILES: CN1C=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)N3C=CC(=C3)C=CC(=O)NC4=CC=CC=C4N
    InChIKey: PRXXYMVLYKJITB-IZZDOVSWSA-N
    InChI: InChI=1S/C23H21N5O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24/h2-16H,24H2,1H3,(H,26,29)/b11-6+
  6. Iadademstat (ORY-1001) 2HCl
      规格或纯度 :
    • ≥98%
    CAS号 : 1431326-61-2        Compound CID : 71664305
    分子式: C15H22N2 . 2HCl        分子量: 303.27
    IUPAC Name: 4-N-[(1R,2S)-2-phenylcyclopropyl]cyclohexane-1,4-diamine;dihydrochloride
    SMILES: C1CC(CCC1N)NC2CC2C3=CC=CC=C3.Cl.Cl
    InChIKey: UCINOBZMLCREGM-RNNUGBGQSA-N
    InChI: InChI=1S/C15H22N2.2ClH/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11;;/h1-5,12-15,17H,6-10,16H2;2*1H/t12?,13?,14-,15+;;/m0../s1
  7. Ampalex
    CAS号 : 154235-83-3        Compound CID : 148184
    分子式: C14H15N3O        分子量: 241.29
    IUPAC Name: piperidin-1-yl(quinoxalin-6-yl)methanone
    SMILES: C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2
    InChIKey: ANDGGVOPIJEHOF-UHFFFAOYSA-N
    InChI: InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
  8. Domatinostat (4SC-202)
      规格或纯度 :
    • 10mM in DMSO
    CAS号 : 910462-43-0        Compound CID : 15985904
    分子式: C23H21N5O3S        分子量: 447.51
    IUPAC Name: (E)-N-(2-aminophenyl)-3-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
    SMILES: CN1C=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)N3C=CC(=C3)C=CC(=O)NC4=CC=CC=C4N
    InChIKey: PRXXYMVLYKJITB-IZZDOVSWSA-N
    InChI: InChI=1S/C23H21N5O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24/h2-16H,24H2,1H3,(H,26,29)/b11-6+
  9. Epiberberine
      规格或纯度 :
    • 10mM in DMSO
    CAS号 : 6873-09-2        Compound CID : 160876
    分子式: C20H18NO4+        分子量: 336.36
    IUPAC Name: 16,17-dimethoxy-5,7-dioxa-1-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaene
    SMILES: COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC5=C(C4=C3)OCO5)OC
    InChIKey: FPJQGFLUORYYPE-UHFFFAOYSA-N
    InChI: InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
  10. GSK LSD1二盐酸盐
    CAS号 : 1431368-48-7        Compound CID : 71522234
    分子式: C14H22Cl2N2        分子量: 289.24
    IUPAC Name: N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
    SMILES: C1CNCCC1NC2CC2C3=CC=CC=C3
    InChIKey: BASFYRLYJAZPPL-UONOGXRCSA-N
    InChI: InChI=1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14+/m0/s1
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