| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 19 | Yes |
Popular Name: Inosine Inosine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 36703-88-5 , 3926-71-4 , 58-63-9 , [21138-24-9]
36703-88-5; D01995; Inosine pranobex (JAN); Isoprinosine (TN)
58-63-9; D00054; Inosine (JAN/INN); Inotin (TN)
58-63-9; hypoxanthine-ribose; inosine; iso-prinosine; riboxine
9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purin-6-one
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CHEBI:44407; CHEBI:5927; CHEBI:24841; CHEBI:14456
Cystenosine; L-Cystine, mixt. with inosine; LS-59061
Hypoxanthine-9-?-D-ribofuranoside
Hypoxanthine-9-beta-D-ribofuranoside
| 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) | -1.82 | -4.43 | -23.87 | 4 | 9 | 0 | 133 | 268.229 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.36 | -6.52 | -59.54 | 3 | 9 | -1 | 137 | 267.221 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Cardiotonic | ZereneX Building Blocks |
| mechanism | . | ZereneX Building Blocks |
| Mp [°C] | 212 - 213 | Acros Organics |
| Melting_Point | 212-215? dec. | Alfa-Aesar |
| Melting_Point | 212-215° dec. | Alfa-Aesar |
| MP | 222-226 °C (dec.)(lit.) | Indofine |
| UniProt Database Links | 5NTC_BOVIN; 5NTC_CHICK; 5NTC_DICDI; 5NTC_HUMAN; 5NTC_MOUSE; 5NTC_PONAB; 5NTC_XENLA; 5NTC_XENTR; ADA2_CHICK; ADAT1_CHICK; ADAT1_DICDI; ADAT1_DROME; ADAT1_HUMAN; ADAT1_MACFA; ADAT1_MOUSE; ADAT1_XENTR; ADAT2_BOVIN; ADAT2_DANRE; ADAT2_HUMAN; ADAT2_MOUSE; ADAT | ChEBI |
| Purity | 97% | APIChem |
| mechanism | Activates cellular functions by base pairs with Adenine HFN72-P, Cytosine HDR44-O or Uracil BTP40-U | IBScreen Bioactives |
| biological_use | Cardiotonic | IBScreen Bioactives IBScreen Bioactives |
| Therapy | cell function activator | SMDC Pharmakon |
| therap | cell function activator, cardiotonic | MicroSource World Drugs |
| PUBCHEM_PATENT_ID | EP0423290A1; EP0453597B1; EP0743573A3; EP0743573B1; EP0743574A3; EP0743574B1; US5009698; US5288613; US5837671 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0716856A2; US4859768; US5550111; US5700785; WO1989012380A2; WO1993017692A1 | IBM Patent Data |
| Patent Database Links | EP0945460; EP1498101; EP1516616; EP1634882; EP1869977; EP1878431; EP1985702; EP1992634; US2003105066; US2004053208; US2004192553; US2005090513; US2005215513; US2005222180; US2006025345; US2006079478; US2006094870; US2006106065; US2007185062; US2007213294 | ChEBI |
| SOLUBILITY | H2O: 0.5 M, clear, colorless | Indofine |
| Target | Others | Selleck Chemicals |
| biological_source | Prod. by microorganisms, e.g. Bacillus subtilis, E. coli, Saccharomyces cerevisiae, Fusarium spp. | ZereneX Building Blocks |
| Reactome Database Links | REACT_1054; REACT_120749; REACT_1268; REACT_1336; REACT_1504; REACT_1518; REACT_1636; REACT_1972; REACT_2011; REACT_2012; REACT_2135; REACT_22212; REACT_22395; REACT_806; REACT_849; REACT_958 | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| biological_use | Used to treat cardiac disorders | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80583-7-O | Vero (Kidney Cells) (cluster #7 Of 7), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80583 | Z80583 | Vero (Kidney Cells) | 0.23 | 0.71 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Abacavir metabolism | |
| Purine catabolism |
|
| Purine salvage | |
| Transport of nucleosides and free purine and pyrimidine bases across the plasma | |
| Urate synthesis |
