| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: Adenine Adenine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 134434-49-4 , 22177-51-1 , 2922-28-3 , 321-30-2 , 52175-10-7 , 6055-72-7 , 6509-19-9 , 66224-65-5 , 66923-34-0 , 70700-30-0 , 73-24-5 , 90029-73-5 , N/A , [2922-28-3] , [321-30-2] , [6509-19-9] , [70700-30-0] , [73-24-5]
"Adenine hydrochloride hemihydrate, 98%"
2'-DEOXY-ADENOSINE-3'-5'-DIPHOSPHATE
6-AMINOPURINE HEMISULFATE SALT
6-Aminopurine hemisulphate salt
6-Aminopurine; 73-24-5; Adenine; C00147
6379C0E0-C1BB-4087-96C5-1DE281B8EA4C
6H-Purin-6-imine, 1,9-dihydro-, (E)- (9CI)
73-24-5; Adenine (JAN/USP); D00034; Leucon (TN)
7H-Purin-6-amine hydrochloride
7H-Purin-6-amine sulfate (2:1)
9H-Purin-6-amine hemisulfate dihydrate
9H-Purine, 1,6-dihydro-6-imino-
Adenine Hemisulphate [321-30-2]; (6-Aminopurine)
ADENINE HEMISULPHATE; [321-30-2]
ADENINE HYDROCHLORIDE HEMIHYDRATE
Adenine hydrochloride, 98+%, cont. up to ca 5% water
Adenine sulfate, 98%, synthetic
Adenine [73-24-5]; (6-Aminopurine)
CHEBI:40579; CHEBI:2470; CHEBI:13733; CHEBI:22236
InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10
| 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) | 0.24 | 2.02 | -9.53 | 3 | 5 | 0 | 80 | 135.13 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| SOLUBILITY | 0.5 M HCl: 10 mg/mL | Indofine |
| ALOGPS_SOLUBILITY | 1.15e+01 g/l | DrugBank-nutriceuticals |
| Mp [°C] | 285 | Acros Organics |
| M.P | 285 °C | Indofine |
| Mp [°C] | 360 - 365 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | APIChem |
| MP | >360 °C(lit.) | Indofine |
| Melting_Point | >360? dec. | Alfa-Aesar |
| Melting_Point | >360° dec. | Alfa-Aesar |
| UniProt Database Links | AAKG_SCHPO; AAKG_YEAST; ABC2_SCHPO; ABC4_SCHPO; ABRA_ABRPR; ABRB_ABRPR; ABRC_ABRPR; ABRD_ABRPR; ADDE_HELPY; ADEC1_AGRT5; ADEC1_BACSK; ADEC1_BRADU; ADEC1_BRASO; ADEC1_CARHZ; ADEC1_DESPS; ADEC1_JANSC; ADEC1_LACSS; ADEC1_OENOB; ADEC1_RHIEC; ADEC1_RHIL3; ADEC | ChEBI |
| Melting_Point | ca 210? dec. | Alfa-Aesar |
| Melting_Point | ca 210° dec. | Alfa-Aesar |
| Melting_Point | ca 290? dec. | Alfa-Aesar |
| Melting_Point | ca 290° dec. | Alfa-Aesar |
| Notes | Cytokin growth regulatorPlant tissue culture tested | Apollo Scientific Bioactives |
| Target | DNA/RNA Synthesis | Selleck Chemicals |
| PUBCHEM_PATENT_ID | EP0521463A2; EP0521463A3; US5631259 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0661979A1; EP0842186A1; EP0929545A1; EP0930893A1; US5824796; US5849482; US5985879; WO1990014353A1; WO1993003736A1; WO1994017092A1; WO1996040711A1; WO1998011093A1; WO1998016247A1; WO1998055495A2; WO2000021556A1; WO2000054803A2 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0842186A1; US5849482; WO1996040711A1 | IBM Patent Data |
| Patent Database Links | EP1072601; EP1177797; EP1386923; EP1420021; EP1422218; EP1466919; EP1498101; EP1526177; EP1541581; EP1550662; EP1557424; EP1559785; EP1600507; EP1609462; EP1671618; EP1676586; EP1710249; EP1728863; EP1741440; EP1749516; EP1752536; EP1754710; EP1759713; EP | ChEBI |
| H phrase | H301: Toxic if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| Reactome Database Links | REACT_1268; REACT_165; REACT_22212; REACT_22395; REACT_75786; REACT_958 | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Target | Sodium-dependent serotonin transporter(P31645) | Herbal Ingredients Targets |
| Warnings | Toxic | Matrix Scientific |
| Therapy | Vitamin B4 | SMDC Pharmakon |
| PUBCHEM_PATENT_ID | WO2000025797A1 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
| Description | Species |
|---|---|
| Methionine salvage pathway | |
| Purine salvage |
|
| Transport of nucleosides and free purine and pyrimidine bases across the plasma |
No pre-computed analogs available. Try a structural similarity search.