| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 11 | Yes |
Popular Name: Guanine Guanine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10333-92-3 , 635-39-2 , 73-40-5 , 842165-07-5 , [73-40-5]
2-amino-1,9-dihydro-6H-purin-6-one
2-Amino-1H-purin-6(7H)-one hydrochloride
2-Amino-1H-purin-6(7H)-one sulfate
2-Amino-1H-purin-6(7H)-onesulfate
2-Amino-1H-purin-6(9H)-one acetate
2-amino-3,7-dihydropurin-6-one
2-amino-6,9-dihydro-1H-purin-6-one
2-Amino-6-hydroxy purine Hydrochloride
2-Amino-6-hydroxypurine hydrochloride
2-Amino-6-hydroxypurine; 73-40-5; C00242; Guanine
2-amino-6-oxopurine; Gua; guanine
6H-purin-6-one, 2-amino-1,9-dihydro-
CHEBI:42948; CHEBI:14371; CHEBI:24443; CHEBI:14372; CHEBI:5563
| 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) | -0.93 | 1.36 | -17.89 | 4 | 6 | 0 | 100 | 151.129 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | 128UP_DROME; 5H1AA_TAKRU; 5H1AB_TAKRU; 5HT1A_CANFA; 5HT1A_GORGO; 5HT1A_HORSE; 5HT1A_HUMAN; 5HT1A_MOUSE; 5HT1A_PANTR; 5HT1A_PONPY; 5HT1A_RAT; 5HT1A_VULVU; 5HT1A_XENLA; 5HT1B_CANFA; 5HT1B_CAVPO; 5HT1B_CRIGR; 5HT1B_DIDVI; 5HT1B_FELCA; 5HT1B_GORGO; 5HT1B_HORS | ChEBI |
| ALOGPS_SOLUBILITY | 2.53e+00 g/l | DrugBank-experimental |
| MP | 298 - 300 | Enamine Building Blocks |
| MP | 298...300 | Enamine Building Blocks |
| MP | 299 - 300 | Enamine Building Blocks |
| MP | 300 - 300 | Enamine Building Blocks |
| MP | 300 - 302 | Enamine Building Blocks |
| Mp [°C] | 360 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 9.76e+00 g/l | DrugBank-experimental |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | APIChem |
| MP | >300 °C(lit.) | Indofine |
| Melting_Point | >300? | Alfa-Aesar |
| Melting_Point | >300° | Alfa-Aesar |
| Patent Database Links | EP1072601; EP1466919; EP1493810; EP1518854; EP1526177; EP1541581; EP1550720; EP1557424; EP1559785; EP1600507; EP1652528; EP1676586; EP1710249; EP1728863; EP1749516; EP1752536; EP1754710; EP1759713; EP1780268; EP1780276; EP1782826; EP1849865; EP1930340; EP | ChEBI |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| P phrase | P302+ P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| P phrase | P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Reactome Database Links | REACT_1040; REACT_1268; REACT_1442; REACT_1444; REACT_758; REACT_958 | ChEBI |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| SOLUBILITY | Stable. Incompatible with strong oxidizing agents. | Indofine |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH-1-E | Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.67 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH_HUMAN | P00491 | Purine Nucleoside Phosphorylase, Human | 5000 | 0.67 | Binding ≤ 10μM |
| PNPH_RAT | P85973 | Purine-nucleoside Phosphorylase, Rat | 5000 | 0.67 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Purine catabolism | |
| Purine salvage |
|
| Transport of nucleosides and free purine and pyrimidine bases across the plasma |
| Description | Species |
|---|---|
| Purine catabolism | |
| Purine salvage |
