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  1. General Info
  2. Effects Info
  3. Reference
Drug Details
01. General Information
Name Decitabine
PubChem CID 451668
Molecular Weight 228.21g/mol
Synonyms

Decitabine, 5-Aza-2'-deoxycytidine, 2353-33-5, Dacogen, 2'-Deoxy-5-azacytidine, 5-Azadeoxycytidine, AzadC, 5-aza-CdR, 5-aza-dC, Dezocitidine, 5-Aza-deoxycytidine, 5-AZAdC, 2-deoxyazacytidine, Dac, NSC 127716, 2-Desoxy-5-azacytidine, 4-amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,3,5-triazin-2(1H)-one, NSC-127716, CCRIS 8227, DTXSID7030432, UNII-776B62CQ27, CHEBI:50131, 5A2dc, 4-Amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-s-triazin-2(1H)-one, 5-aza-2-deoxycytidine, 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one, EINECS 219-089-4, MFCD00043011, 776B62CQ27, BRN 0617982, JNJ 30979754, JNJ-30979754, 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)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one, MLS001332587, ASTX-727, DTXCID5010432, INQOVI COMPONENT DECITABINE, ASTX727 COMPONENT DECITABINE, ASTX-727 COMPONENT DECITABINE, SMR000857076, 1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-, DECITABINE (MART.), DECITABINE [MART.], 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one, 4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one, Alpha-Decitibine, AzadC compound, NSC127716, Compound, AzadC, s-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-, 5 Azadeoxycytidine, 5AzadC, Dacogen (TN), CAS-2353-33-5, 5-Aza-2'-deoxy Cytidine, C8H12N4O4, NCGC_5ADOC, 2' Deoxy 5 azacytidine, 5 Aza 2' deoxycytidine, Decitabine (USAN/INN), decitabinum, Decitabina, Decitabine [USAN:INN:BAN], 5-Aza-2'-deoxycytidine;NSC 127716, NCGC00166088-01, Decitabine- Bio-X, deoxy-5-azacytidine, Decitabine, Free Base, DECITABINE [MI], DECITABINE [INN], 2'-desoxy-5-azacytidine, DECITABINE [USAN], DECITABINE [VANDF], MolMap_000063, E-7373, SCHEMBL4006, DECITABINE [WHO-DD], MLS001332588, MLS006010136, cid_451668, GTPL6805, CHEMBL1201129, DECITABINE [ORANGE BOOK], BDBM96274, EX-A961, L01BC08, XAUDJQYHKZQPEU-KVQBGUIXSA-N, HMS2235O03, HMS3413L07, HMS3677L07, 105597-46-4, 22432-95-7, AMY33354, BCP02870, HY-A0004, 5-Aza-2'-deoxycytidine, >=97%, Tox21_112311, 4-Amino-1-(2-deoxy-beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one, HB1356, s1200, 5-aza-2'-deoxycytidine (Decitabine), DECITABINE COMPONENT OF INQOVI, AKOS015895047, Inqovi (decitabine + cedazuridine), Tox21_112311_1, AC-1135, BCP9000593, CCG-208143, CS-0372, DB01262, 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, BCP0726000271, DB-029060, SW218076-2, D03665, EN300-269341, 5-Aza-2 inverted exclamation marka-deoxycytidine, AB00918337-07, AB00918337_08, SR-01000838879, J-700084, Q1181878, SR-01000838879-4, Z2467077030, decitabine (2 inverted exclamation marka-deoxy-5-azacytidine).cd, 1,3, 5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy--D-erythro-pentofuranosyl)-, 4-AMINO-1-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-S-TRIAZIN-2(1H)-ONE, 4-Amino-1-(2-deoxy-beta-D-erythro-pento furanosyl)-1,3,5-triazin-2(1H)-one

Drug Type Small molecule
Formula C₈H₁₂N₄O₄
SMILES C1C(C(OC1N2C=NC(=NC2=O)N)CO)O
InChI 1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
InChIKey XAUDJQYHKZQPEU-KVQBGUIXSA-N
CAS Number 2353-33-5
ChEMBL ID CHEMBL1201129
ChEBI ID CHEBI:50131
TTD ID D0X5XU
Drug Bank ID DB01262
KEGG ID D03665
Toxicity Organism Test Type Route(Dose)
rat LD50 intraperitoneal(165 mg/kg)
mouse LD50 intraperitoneal(254 mg/kg)
rat LD50 oral(322 mg/kg)
Structure 2D-img
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2D MOL 3D MOL
02. Combinatorial Therapeutic Effect(s)
Synergistic Effect
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Enhancing Drug Efficacy
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Combination Pair ID: 910
Pair Name Sulforaphane, Decitabine
Partner Name Sulforaphane
Disease Info [ICD-11: 2C30] Melanoma Investigative
In Vitro Model B16-F10 Mouse melanoma Mus musculus (Mouse) CVCL_0159
Result These results indicate a potential combinatorial effect of a dietary antioxidant and an FDA-approved epigenetic drug in controlling melanoma cell growth.
Combination Pair ID: 48
Pair Name Jervine, Decitabine
Partner Name Jervine
Disease Info [ICD-11: 2A3Z] Myelodysplastic syndrome Investigative
Biological Phenomena Induction-->Apoptosis
Gene Regulation Down-regulation Expression AKT1 hsa207
Down-regulation Expression BCL2 hsa596
Up-regulation Expression CASP3 hsa836
Down-regulation Expression CCND1 hsa595
Down-regulation Expression Gli1 hsa2735
Down-regulation Expression PIK3CA hsa5290
Down-regulation Expression SMO hsa6608
In Vitro Model MUTZ-1 EBV-related Burkitt lymphoma Homo sapiens (Human) CVCL_1431
Result The Smo inhibitor jervine and its combination with decitabine have a synergistic effect on the proliferation, cell cycle, and apoptosis of MUTZ-1 cells, and its mechanism may be achieved by interfering with the Shh signaling pathway.
Combination Pair ID: 513
Pair Name All-trans retinoic acid, Decitabine
Partner Name All-trans-retinoic acid
Disease Info [ICD-11: 2A60.Z] Acute myeloid leukemia Investigative
Biological Phenomena Induction-->ROS accumulation
Gene Regulation Up-regulation Cleavage CASP3 hsa836
Down-regulation Expression DUSP1 hsa1843
Down-regulation Expression FTH1 hsa2495
Down-regulation Expression GPX2 hsa2877
Up-regulation Expression NFE2L2 hsa4780
Down-regulation Expression NQO1 hsa1728
Up-regulation Cleavage PARP1 hsa142
Up-regulation Activity RARA hsa5914
In Vitro Model MDS Childhood T acute lymphoblastic leukemia Homo sapiens (Human) CVCL_L807
MOLM-13 Adult acute myeloid leukemia Homo sapiens (Human) CVCL_2119
In Vivo Model 1×10⁶ MOLM-13-Luciferase (MOLM-13-Luc) cells were injected via the tail veins to establish the cell line-derived xenograft (CDX) model.
Result These results demonstrate that combining DAC and ATRA has potential for the clinical treatment of HR-MDS/AML and merits further exploration.
03. Reference
No. Title Href
1 Effect of Sulforaphane and 5-Aza-2'-Deoxycytidine on Melanoma Cell Growth. Medicines (Basel). 2019 Jun 27;6(3):71. doi: 10.3390/medicines6030071. Click
2 Synergistic inhibitory effect of Smo inhibitor jervine and its combination with decitabine can target Hedgehog signaling pathway to inhibit myelodysplastic syndrome cell line. Hematology. 2021 Dec;26(1):518-528. doi: 10.1080/16078454.2021.1950897. Click
3 All-trans retinoic acid enhances the cytotoxic effect of decitabine on myelodysplastic syndromes and acute myeloid leukaemia by activating the RARα-Nrf2 complex. Br J Cancer. 2023 Feb;128(4):691-701. doi: 10.1038/s41416-022-02074-0. Click
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