Compound: Decitabine
SMILES: O=c1nc(ncn1[C@@H]2O[C@H](CO)[C@H](C2)O)N
InChIKey: XAUDJQYHKZQPEU-KVQBGUIXSA-N
Synonyms: Decitabine, 5-Aza-2'-deoxycytidine, 2353-33-5, 5-Azadeoxycytidine, 2'-Deoxy-5-azacytidine, 5-Aza-deoxycytidine, Decitabina, 5-AZAdC, NSC 127716, 2-Desoxy-5-azacytidine, NSC-127716, 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one, DTXSID7030432, 4-Amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-s-triazin-2(1H)-one, 776B62CQ27, DTXCID5010432, CHEBI:50131, INQOVI COMPONENT DECITABINE, 1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-, 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one, s-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-, decitabinum, AzadC compound, Compound, AzadC, 4-amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-1,3,5-triazin-2-one, 5 Azadeoxycytidine, 5 Deoxyazacytidine, 5AzadC, 4-amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-1,2-dihydro-1,3,5-triazin-2-one, Mesylate, Decitabine, RefChem:57657, 2' Deoxy 5 azacytidine, 5 Aza 2' deoxycytidine, L01BC08, Dacogen, AzadC, 5-aza-CdR, Dezocitidine, MFCD00043011, Dac, 4-Amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one, 4-amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,3,5-triazin-2(1H)-one, MLS001332587, 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one, SMR000857076, 5-aza-dC, 5-Aza-2'-deoxy Cytidine, 4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one, Alpha-Decitibine, 2-deoxyazacytidine, Dacogen (TN), CAS-2353-33-5, NCGC_5ADOC, Decitabine (USAN/INN), Decitabine [USAN:INN:BAN], CCRIS 8227, NSC127716, UNII-776B62CQ27, 5-Aza-2'-deoxycytidine;NSC 127716, NCGC00166088-01, 4-Amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2(1H)-one, deoxy-5-azacytidine, EINECS 219-089-4, Decitabine (Standard), BRN 0617982, JNJ 30979754, JNJ-30979754, DECITABINE [MI], 2'-Deoxy-5-azacytidin, DECITABINE [INN], DECITABINE [USAN], 2'-deoxy-5-aza-cytidine, DECITABINE [VANDF], MolMap_000063, E-7373, DECITABINE [MART.], SCHEMBL4006, DECITABINE [WHO-DD], 5-Aza-2'-deoxy-D-cytidine, MLS001332588, MLS006010136, ASTX-727, cid_451668, Decitabine - Bio-X trade mark, GTPL6805, orb1308400, CHEMBL1201129, DECITABINE [ORANGE BOOK], SCHEMBL27887698, BDBM96274, HY-A0004R, EX-A961, XAUDJQYHKZQPEU-KVQBGUIXSA-N, HMS2235O03, HMS3413L07, HMS3677L07, 105597-46-4, 22432-95-7, HY-A0004, 5-Aza-2'-deoxycytidine, >=97%, Tox21_112311, ASTX727 COMPONENT DECITABINE, EBC-00686, HB1356, s1200, 5-aza-2'-deoxycytidine (Decitabine), AKOS015895047, ASTX-727 COMPONENT DECITABINE, Inqovi  (decitabine +  cedazuridine), Tox21_112311_1, AC-1135, CCG-208143, CS-0372, DB01262, NA02969, 1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-, ASTX727 (decitabine +  cedazuridine), Decitabine (NSC127716; 5AZA-CdR), NCGC00166088-02, NCGC00166088-05, AS-17558, BA164359, SY028608, DB-029060, SW218076-2, D03665, EN300-269341, 5-Aza-2 inverted exclamation marka-deoxycytidine, AB00918337-07, AB00918337_08, F387707, SR-01000838879, Q1181878, SR-01000838879-4, BRD-K79254416-001-21-8, BRD-K79254416-001-22-6, 5-Aza-2'-deoxycytidine Dacogen 2'-Deoxy-5-azacytidine, Z2467077030, 4-Amino-1-(2-deoxy-b-D-ribofuranosyl)-1,3 ,5-triazin-2(1H)-one, decitabine (2 inverted exclamation marka-deoxy-5-azacytidine).cd, 1,3, 5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy--D-erythro-pentofuranosyl)-, 1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-|A-D-erythro-pentofuranosyl)-, 4-AMINO-1-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-S-TRIAZIN-2(1H)-ONE
Theoretical properties:
molecular_formula: C8H12N4O4
molecular_weight: 228.21 g/mol
exact_mass: 228.08585488 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 2
heavy_atom_count: 16
topological_polar_surface_area: 121 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 193-196
Descriptions:
pubchem: 5-aza-2'-deoxycytidine is a 2'-deoxyribonucleoside.
chembl: DECITABINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Decitabine (i.e., 5-aza-2′-deoxycytidine), sold under the brand name Dacogen among others, acts as a nucleic acid synthesis inhibitor. It is a medication for the treatment of myelodysplastic syndromes, a class of conditions where certain blood cells are dysfunctional, and for acute myeloid leukemia (AML). Chemically, it is a cytidine analog.