| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 19 | Yes |
Popular Name: Vidarabine Vidarabine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 24356-66-9 , 24356-66-9, 5536-17-4 [an , 24356-66-9, 5536-17-4 [anhydrous] , 5536-17-4 , 58-61-7 , [5536-17-4]
"9-(¦Â-D-Arabinofuranosyl)adenine, 98%"
(2R,3S,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
24356-66-9; 9-beta-D-Arabino furanosyl adenine monohydrate; C07195; Vidarabine
24356-66-9; D00406; Vidarabine (USP); Vidarabine monohydrate; Vira-A (TN)
5536-17-4; ARA-A; Armes (TN); D06298; Vidarabine (JAN); Vidarabine anhydrous
6-Amino-9-b-D-arabinofuranosylpurine
9-(b-D-Arabinofuranosyl)adenine
9-beta-D-arabinofuranosyl-adenine
9-beta-D-Arabinofuranosyladenine; Adenine 9-beta;-D-arabinofuranoside; CPD000471872; SAM002564191
Adenine 9-beta;-D-arabinofuranoside; CPD000471872; SAM002564191
ADENINE-BETA-D-ARABINOFURANOSIDE
Arabinofuranosyladenine Triphosphate
| 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) | -0.85 | -5.28 | -13.98 | 5 | 9 | 0 | 140 | 267.245 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.40e+01 g/l | DrugBank-approved |
| Melting_Point | 234-237? | Alfa-Aesar |
| Melting_Point | 234-237° | Alfa-Aesar |
| Target | 5-alpha Reductase | Selleck Chemicals |
| Purity | 95% | Fluorochem |
| Therapy | antiviral | SMDC Iconix |
| PUBCHEM_PATENT_ID | EP0297630A1; EP0335379A2; EP0335379B1; EP0363355A1; EP0423290A1; EP0517573A1; EP0553790A1; EP0553790B1; EP0672122A1; EP0673783A2; EP0673783A3; EP0673783B1; EP0743573A3; EP0743573B1; EP0743574A3; EP0743574B1; EP0878549A3; EP0934331A2; EP0954600A2; EP096668 | IBM Patent Data |
| Patent Database Links | EP1579874; EP1611879; EP1698329; EP1772767; EP1839648; US2003054028; US2005261242; US2005271715; US2006025479; US2007184076; US2007202051; US2007248658; US2008070859; WO2005000805; WO2005021003; WO2005039587; WO2007112348; WO2008120205 | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-5908; NCC_SUPPLIER_SAMPLE_COMMENTS : OFF-WHITE POWDER | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-5908; SUPPLIER_COMMENTS: OFF-WHITE POWDER | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4-1-E | Dipeptidyl Peptidase IV (cluster #1 Of 3), Eukaryotic | Eukaryotes | 62 | 0.53 | Binding ≤ 10μM |
| Z102131-1-O | Vaccinia Virus Copenhagen (cluster #1 Of 1), Other | Other | 2000 | 0.42 | Functional ≤ 10μM |
| Z50599-1-O | Cowpox Virus (cluster #1 Of 1), Other | Other | 1400 | 0.43 | Functional ≤ 10μM |
| Z50600-1-O | Vaccinia Virus (cluster #1 Of 2), Other | Other | 8300 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 62 | 0.53 | Binding ≤ 1μM |
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 62 | 0.53 | Binding ≤ 10μM |
| Z50599 | Z50599 | Cowpox Virus | 1400 | 0.43 | Functional ≤ 10μM |
| Z50600 | Z50600 | Vaccinia Virus | 1000 | 0.44 | Functional ≤ 10μM |
| Z102131 | Z102131 | Vaccinia Virus Copenhagen | 2000 | 0.42 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
