| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 9 | Yes |
Popular Name: 4-methylpyridine-2,3-diamine 4-methylpyridine-2,3-diamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 53929-59-2 , 53939-59-2 , [53929-59-2]
| 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) | 0.33 | 0.85 | -26.97 | 5 | 3 | 1 | 66 | 124.167 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.33 | 0.38 | -5.39 | 4 | 3 | 0 | 65 | 123.159 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 111 - 113 | Enamine Building Blocks |
| MP | 111...113 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2-4-E | Nitric Oxide Synthase, Inducible (cluster #4 Of 9), Eukaryotic | Eukaryotes | 59 | 1.12 | Binding ≤ 10μM |
| NOS3-6-E | Nitric Oxide Synthase, Endothelial (cluster #6 Of 7), Eukaryotic | Eukaryotes | 81 | 1.10 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 59 | 1.12 | Binding ≤ 1μM |
| NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 81 | 1.10 | Binding ≤ 1μM |
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 59 | 1.12 | Binding ≤ 10μM |
| NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 81 | 1.10 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| eNOS activation | |
| Nitric oxide stimulates guanylate cyclase | |
| NOSIP mediated eNOS trafficking | |
| NOSTRIN mediated eNOS trafficking | |
| Phagosomal maturation (early endosomal stage) | |
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | |
| VEGFR2 mediated vascular permeability |
