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5-Azacytidine

AlkaPlorer ID: AK289924

Synonym: 4-Amino-1-β-D-ribofuranosyl-1,3,5-triazin-2(1H)-one, 1-β-D-Ribofuranosyl-5-azacytosine, Azacitidine, Ladakamycin, Mylosar, Vidaza, NSC 102816, Antibiotic U 18496, U 18496 

IUPAC Name: 6-amino-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-3-ium-2-one

Structure

SMILES: NC1=NC(=O)N(C2OC(CO)C(O)C2O)C=[NH+]1

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InChI: InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/p+1

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InChIKey: NMUSYJAQQFHJEW-UHFFFAOYSA-O

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Reference

PubChem CID: 58880024

CAS: 320-67-2

COCONUT: CNP0215188.3

Properties Information

Molecule Weight: 245.215

TPSA？: 144.97000000000003

MolLogP？: -3.748899999999998

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 818.46 nM None
Homo sapiens 786-0 GI50 132434.15 nM None
Homo sapiens A498 GI50 1006.93 nM None
Homo sapiens A498 GI50 165577.0 nM None
Homo sapiens A549 GI50 935.41 nM None
Homo sapiens A549 GI50 6982.32 nM None
Homo sapiens ACHN GI50 480.84 nM None
Homo sapiens ACHN GI50 20230.19 nM None
Homo sapiens BT-549 GI50 671.43 nM None
Homo sapiens BT-549 GI50 250034.54 nM None
Homo sapiens CAKI-1 GI50 463.45 nM None
Homo sapiens CAKI-1 GI50 55590.43 nM None
Homo sapiens CCRF-CEM GI50 237.68 nM None
Homo sapiens CCRF-CEM GI50 695.02 nM None
Homo sapiens Cellular tumor antigen p53 Potency 12589.3 nM None
Homo sapiens COLO 205 GI50 500.03 nM None
Homo sapiens COLO 205 GI50 76559.66 nM None
Homo sapiens DLD-1 GI50 1059.25 nM None
Homo sapiens DLD-1 GI50 243220.4 nM None
Homo sapiens DMS-114 GI50 1172.2 nM None
Homo sapiens DMS-114 GI50 9462.37 nM None
Homo sapiens DMS-273 GI50 837.53 nM None
Homo sapiens DMS-273 GI50 191425.59 nM None
Homo sapiens DU-145 GI50 533.33 nM None
Homo sapiens DU-145 GI50 246603.93 nM None
Homo sapiens EKVX GI50 3732.5 nM None
Homo sapiens EKVX GI50 56754.46 nM None
Homo sapiens HCC 2998 GI50 699.84 nM None
Homo sapiens HCC 2998 GI50 212324.45 nM None
Homo sapiens HCT-116 GI50 361.41 nM None
Homo sapiens HCT-116 GI50 19010.78 nM None
Homo sapiens HCT-15 GI50 809.1 nM None
Homo sapiens HCT-15 GI50 125025.9 nM None
Homo sapiens HL-60 GI50 452.9 nM None
Homo sapiens HL-60 GI50 66527.32 nM None
Homo sapiens HOP-18 GI50 2037.04 nM None
Homo sapiens HOP-18 GI50 209411.25 nM None
Homo sapiens HOP-62 GI50 586.14 nM None
Homo sapiens HOP-62 GI50 10069.32 nM None
Homo sapiens HOP-92 GI50 1849.27 nM None
Homo sapiens HOP-92 GI50 20941.12 nM None
Homo sapiens Hs-578T GI50 924.7 nM None
Homo sapiens Hs-578T GI50 250034.54 nM None
Homo sapiens HT-29 GI50 717.79 nM None
Homo sapiens HT-29 GI50 250034.54 nM None
Homo sapiens IGROV-1 GI50 1004.62 nM None
Homo sapiens IGROV-1 GI50 250034.54 nM None
Homo sapiens K562 GI50 559.76 nM None
Homo sapiens K562 GI50 164816.24 nM None
Homo sapiens KM12 GI50 644.17 nM None
Homo sapiens KM12 GI50 250034.54 nM None
Homo sapiens KM-20L2 GI50 905.73 nM None
Homo sapiens KM-20L2 GI50 250034.54 nM None
Homo sapiens LOX IMVI GI50 492.04 nM None
Homo sapiens LOX IMVI GI50 17579.24 nM None
Homo sapiens M14 GI50 1093.96 nM None
Homo sapiens M14 GI50 36391.5 nM None
Homo sapiens M19-MEL GI50 1399.59 nM None
Homo sapiens M19-MEL GI50 20137.24 nM None
Homo sapiens Malme-3M GI50 1081.43 nM None
Homo sapiens Malme-3M GI50 34434.99 nM None
Homo sapiens MCF7 GI50 924.7 nM None
Homo sapiens MCF7 GI50 6338.7 nM None
Homo sapiens MDA-MB-231 GI50 435.51 nM None
Homo sapiens MDA-MB-231 GI50 248313.31 nM None
Homo sapiens MDA-MB-435 GI50 606.74 nM None
Homo sapiens MDA-MB-435 GI50 250034.54 nM None
Homo sapiens MDA-N GI50 1135.01 nM None
Homo sapiens MDA-N GI50 93756.2 nM None
Homo sapiens MOLT-4 GI50 734.51 nM None
Homo sapiens MOLT-4 GI50 1221.8 nM None
Homo sapiens NCI/ADR-RES GI50 1370.88 nM None
Homo sapiens NCI/ADR-RES GI50 53088.44 nM None
Homo sapiens NCI-H226 GI50 931.11 nM None
Homo sapiens NCI-H226 GI50 164816.24 nM None
Homo sapiens NCI-H23 GI50 2202.93 nM None
Homo sapiens NCI-H23 GI50 14421.15 nM None
Homo sapiens NCI-H322M GI50 748.17 nM None
Homo sapiens NCI-H322M GI50 157761.13 nM None
Homo sapiens NCI-H460 GI50 362.24 nM None
Homo sapiens NCI-H460 GI50 5597.58 nM None
Homo sapiens NCI-H522 GI50 783.43 nM None
Homo sapiens NCI-H522 GI50 79615.94 nM None
Homo sapiens OVCAR-3 GI50 903.65 nM None
Homo sapiens OVCAR-3 GI50 237137.37 nM None
Homo sapiens OVCAR-4 GI50 881.05 nM None
Homo sapiens OVCAR-4 GI50 250034.54 nM None
Homo sapiens OVCAR-5 GI50 3280.95 nM None
Homo sapiens OVCAR-5 GI50 142889.4 nM None
Homo sapiens OVCAR-8 GI50 666.81 nM None
Homo sapiens OVCAR-8 GI50 31622.78 nM None
Homo sapiens PC-3 GI50 1300.17 nM None
Homo sapiens PC-3 GI50 130016.96 nM None
Homo sapiens RPMI-8226 GI50 380.19 nM None
Homo sapiens RPMI-8226 GI50 235504.93 nM None
Homo sapiens RXF 393 GI50 659.17 nM None
Homo sapiens RXF 393 GI50 174984.67 nM None
Homo sapiens SF-268 GI50 1321.3 nM None
Homo sapiens SF-268 GI50 182810.02 nM None
Homo sapiens SF-295 GI50 1595.88 nM None
Homo sapiens SF-295 GI50 237684.03 nM None
Homo sapiens SF-539 GI50 889.2 nM None
Homo sapiens SF-539 GI50 250034.54 nM None
Homo sapiens SK-MEL-2 GI50 444.63 nM None
Homo sapiens SK-MEL-2 GI50 111943.79 nM None
Homo sapiens SK-MEL-28 GI50 1205.04 nM None
Homo sapiens SK-MEL-28 GI50 110407.86 nM None
Homo sapiens SK-MEL-5 GI50 1285.29 nM None
Homo sapiens SK-MEL-5 GI50 176197.6 nM None
Homo sapiens SK-OV-3 GI50 2415.46 nM None
Homo sapiens SK-OV-3 GI50 181970.09 nM None
Homo sapiens SN12C GI50 968.28 nM None
Homo sapiens SN12C GI50 46558.61 nM None
Homo sapiens SN12K1 GI50 1324.34 nM None
Homo sapiens SN12K1 GI50 29785.16 nM None
Homo sapiens SNB-19 GI50 2582.26 nM None
Homo sapiens SNB-19 GI50 116412.6 nM None
Homo sapiens SNB-75 GI50 1931.97 nM None
Homo sapiens SNB-75 GI50 187068.21 nM None
Homo sapiens SNB-78 GI50 2409.91 nM None
Homo sapiens SNB-78 GI50 250034.54 nM None
Homo sapiens SR GI50 783.43 nM None
Homo sapiens SR GI50 6745.28 nM None
Homo sapiens SW-620 GI50 833.68 nM None
Homo sapiens SW-620 GI50 40738.03 nM None
Homo sapiens T47D GI50 1210.6 nM None
Homo sapiens T47D GI50 250034.54 nM None
Homo sapiens TK-10 GI50 1999.86 nM None
Homo sapiens TK-10 GI50 250034.54 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 16360.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 20596.2 nM None
Homo sapiens U-251 GI50 950.6 nM None
Homo sapiens U-251 GI50 250034.54 nM None
Homo sapiens UACC-257 GI50 1967.89 nM None
Homo sapiens UACC-257 GI50 250034.54 nM None
Homo sapiens UACC-62 GI50 495.45 nM None
Homo sapiens UACC-62 GI50 177418.95 nM None
Homo sapiens UO-31 GI50 870.96 nM None
Homo sapiens UO-31 GI50 148936.11 nM None
Homo sapiens XF498 GI50 2483.13 nM None
Homo sapiens XF498 GI50 53088.44 nM None
Mus musculus P388 GI50 347.54 nM None
Mus musculus P388 GI50 451.86 nM None
Mus musculus P388/ADR GI50 392.64 nM None
Mus musculus P388/ADR GI50 488.65 nM None
None NON-PROTEIN TARGET Potency 0.6 nM None
None NON-PROTEIN TARGET Potency 11.9 nM None
None NON-PROTEIN TARGET Potency 188.2 nM None
None NON-PROTEIN TARGET Potency 749.3 nM None
None Unchecked Potency 3162.3 nM None
None Unchecked Potency 3981.1 nM None
None Unchecked Potency 8912.5 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 11220.2 nM None

Metabolism Information