| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 17 | Yes |
Popular Name: 5-Azacytidine 5-Azacytidine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 320-67-2 , [320-67-2]
1,3,5-Triazin-2(1H)-one, 4-amino-1-beta-D-ribofuranosyl-
2-(beta-D-Ribofuranosyl)-4-amino-1,3,5-triazin-2-one
320-67-2; 5-Azacytidine; Azacitidine; C11262
320-67-2; 5-Azacytidine; CPD000857239; SAM002264595
320-67-2; Azacitidine (JAN/USAN/INN); D03021; Vidaza (TN)
4-Amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one
4-Amino-1-beta-D-ribofuranosyl-1,3,5-traizin-2(1H)-one
4-Amino-1-beta-d-ribofuranosyl-1,3,5-triazin-2(1H)-one
4-Amino-1-beta-D-ribofuranosyl-1,3,5-triazine-2(1H)-one
4-Amino-1-beta-D-ribofuranosyl-s-triazin-2(1H)-one
4-Amino-1-beta-D-ribofuranosyl-s-triazin-2(1H)-one; 5-Azacytidine; Azacitidine
4-amino-1-beta-L-ribofuranosyl-1,3,5-triazin-2(1H)-one
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triaz
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
5 AZC;Azacitidina [INN-Spanish];Azacitidinum [INN-Latin];Azacytidine
5-azacytidine, Mylosar, Ladakamycin
5-azacytidine, Mylosar, Ladakamycin, Vidaza, Azacitidine
5-Azacytidine; CPD000857239; SAM002264595
pyrimidine antimetabolite: inhibits nucleic acid replication
s-Triazin-2(1H)-one, 4-amino-1-beta-D-ribofuranosyl-
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -2.34 | -4.76 | -53.63 | 6 | 9 | 1 | 145 | 245.215 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.34 | -5.25 | -19.49 | 5 | 9 | 0 | 144 | 244.207 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.21e+01 g/l | DrugBank-approved |
| Mp [°C] | 228 - 230 | Acros Organics |
| Therapy | antineoplastic, pyrimidine antimetabolite | SMDC Iconix |
| Target | DNA/RNA Synthesis | Selleck Chemicals |
| PUBCHEM_PATENT_ID | EP0110955A1; EP0110955B1; EP0286958A2; EP0289121A2; EP0289121B1; EP0315782A2; EP0315782B1; EP0327200A1; EP0327200B1; EP0390857A1; EP0475160B1; EP0544824A1; EP0544824B1; EP0567613A1; EP0651824A1; EP0668782A1; EP0672190A1; EP0772692A1; EP0803573A1; EP085246 | IBM Patent Data |
| Patent Database Links | EP1544290; EP1574499; EP1580188; EP1876233; EP1894997; EP1900742; EP1990342; US2002165218; US2004097503; US2004171637; US2005002945; US2005014759; US2005090526; US2005137150; US2005137213; US2005154012; US2005154015; US2005165053; US2005176750; US20052726 | ChEBI |
| H phrase | H340: May cause genetic defects | Acros Organics |
| H phrase | H340: May cause genetic defects; H302: Harmful if swallowed | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-8165 | NIH Clinical Collection via PubChem |
| P phrase | P201: Obtain special instructions before use | Acros Organics |
| P phrase | P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R45: May cause cancer. | Acros Organics |
| R phrase | R45: May cause cancer.; R46: May cause heritable genetic damage.; R22: Harmful if swallowed. | Acros Organics |
| S phrase | S53: Avoid exposure - obtain special instructions before use. | Acros Organics |
| S phrase | S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-8165 | NIH Clinical Collection via PubChem |
| UniProt Database Links | SC5A8_HUMAN | ChEBI |
| Hazard | T: Toxic | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103204-2-O | A427 (cluster #2 Of 4), Other | Other | 630 | 0.51 | Functional ≤ 10μM |
| Z80166-2-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #2 Of 12), Other | Other | 3800 | 0.45 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 409 | 0.53 | Functional ≤ 10μM |
| Z80224-9-O | MCF7 (Breast Carcinoma Cells) (cluster #9 Of 14), Other | Other | 6780 | 0.43 | Functional ≤ 10μM |
| Z80362-6-O | P388 (Lymphoma Cells) (cluster #6 Of 8), Other | Other | 5000 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103204 | Z103204 | A427 | 630 | 0.51 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 3800 | 0.45 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 409 | 0.53 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 6780 | 0.43 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 5000 | 0.44 | Functional ≤ 10μM |
