| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2008 | 9 | Yes |
Popular Name: 2-amino-4,6-dimethylpyridine 2-amino-4,6-dimethylpyridine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5407-87-4 , [5407-87-4]
| 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) | 1.36 | 2.76 | -4.89 | 2 | 2 | 0 | 39 | 122.171 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 231 | TCI |
| BP [°C] | 235 | Acros Organics |
| BP | 235° | Oakwood Chemical |
| MP | 63 - 64 | Enamine Building Blocks |
| MP | 63-64° | Oakwood Chemical |
| MP | 63...64 | Enamine Building Blocks |
| Mp [°C] | 65.7 - 68.3 | Acros Organics |
| MP | 67 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | APIChem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed. | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| 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 |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1-5-E | Nitric-oxide Synthase, Brain (cluster #5 Of 7), Eukaryotic | Eukaryotes | 100 | 1.09 | Binding ≤ 10μM |
| NOS2-4-E | Nitric Oxide Synthase, Inducible (cluster #4 Of 9), Eukaryotic | Eukaryotes | 45 | 1.14 | Binding ≤ 10μM |
| NOS3-6-E | Nitric Oxide Synthase, Endothelial (cluster #6 Of 7), Eukaryotic | Eukaryotes | 45 | 1.14 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 110 | 1.08 | Binding ≤ 1μM |
| NOS1_RAT | P29476 | Nitric-oxide Synthase, Brain, Rat | 100 | 1.09 | Binding ≤ 1μM |
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 100 | 1.09 | Binding ≤ 1μM |
| NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 170 | 1.05 | Binding ≤ 1μM |
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 110 | 1.08 | Binding ≤ 10μM |
| NOS1_RAT | P29476 | Nitric-oxide Synthase, Brain, Rat | 100 | 1.09 | Binding ≤ 10μM |
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 100 | 1.09 | Binding ≤ 10μM |
| NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 170 | 1.05 | 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 |
