| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 23rd, 2008 | 11 | Yes |
Popular Name: 2-Amino-6-chloropurine 2-Amino-6-chloropurine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10310-21-1 , [10310-21-1]
2-Amino-6-chloropurine; 2-Amino-6-chlorpurine; 6-Chloro-2-aminopurine; 6-Chloro-7H-purin-2-ylamine
| 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) | 0.43 | 3.02 | -10.14 | 3 | 5 | 0 | 80 | 169.575 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.43 | 2.48 | -37.03 | 2 | 5 | -1 | 79 | 168.567 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 275° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | 97+% | Matrix Scientific |
| Purity | 98+% | Matrix Scientific |
| Purity | 99% | APIChem |
| Mp [°C] | >300 | Acros Organics |
| Melting_Point | >300? | Alfa-Aesar |
| Melting_Point | >300° | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0167008A2; EP0346132A1; EP0346132B1; EP0433897A2; EP0433897B1; EP0521463A2; EP0521463A3; EP0675123A1; EP0719274A1; EP0916674A1; EP1023292A1; US3935184; US4769379; US4916224; US4931559; US4950758; US5064961; US5122517; US5175292; US5198583; US5256806; US | IBM Patent Data |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT, KEEP COLD | Matrix Scientific |
| Warnings | Irritant/Store in Freezer | Matrix Scientific |
| P phrase | 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 and easy to do. Continue rinsing | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-15-O | Plasmodium Falciparum (cluster #15 Of 22), Other | Other | 10000 | 0.64 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.64 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.