| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: 9-Methyladenine 9-Methyladenine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 130859-46-0 , 700-00-5 , [700-00-5]
| 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) | 0.30 | 3.54 | -10.37 | 2 | 5 | 0 | 70 | 149.157 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 0.30 | 3.8 | -33.02 | 3 | 5 | 1 | 71 | 150.165 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 0.30 | -0.62 | -28.89 | 3 | 5 | 1 | 71 | 150.165 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 300 - 302 | Acros Organics |
| H phrase | H302: Harmful if swallowed | 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 |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 8600 | 0.64 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA2AR_HUMAN | P29274 | Adenosine A2a Receptor, Human | 6900 | 0.66 | Binding ≤ 10μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 8600 | 0.64 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (s) signalling events | |
| NGF-independant TRKA activation |
