| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 8 | Yes |
Popular Name: 2-Amino-3-methylpyridine 2-Amino-3-methylpyridine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1603-40-3 , 32654-40-3 , N/A , [1603-40-3]
"2-Amino-3-methylpyridine, 99%"
2-Amino-3-(methyl-d3)-pyridine
2-Pyridinamine, 3-methyl- (9CI)
3-Methylpyridin-2-amine hydrochloride
3-Methylpyridin-2-aminehydrochloride
| 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) | 0.92 | 2.72 | -27.36 | 3 | 2 | 1 | 40 | 109.152 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 2.24 | -4.62 | 2 | 2 | 0 | 39 | 108.144 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 221 - 222 | Acros Organics |
| Boiling_Point | 221-222? | Alfa-Aesar |
| Boiling_Point | 221-222° | Alfa-Aesar |
| BP | 221.1° | Fluorochem |
| MP | 29-31° | Oakwood Chemical |
| Melting_Point | 29-32? | Alfa-Aesar |
| Melting_Point | 29-32° | Alfa-Aesar |
| MP | 30° | Fluorochem |
| Mp [°C] | 32 - 34 | Acros Organics |
| Purity | 97% | APIChem |
| Purity | 99% | Fluorochem |
| H phrase | H301: Toxic if swallowed | Acros Organics |
| H phrase | H301: Toxic if swallowed; H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation; H311: Toxic in contact with skin | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G | Acros Organics |
| R phrase | R24/25: Toxic in contact with skin and if swallowed. | Acros Organics |
| R phrase | R24/25: Toxic 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.; S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label wher | Acros Organics |
| Hazard | T: Toxic | 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 | 1300 | 1.03 | Binding ≤ 10μM |
| NOS2-8-E | Nitric Oxide Synthase, Inducible (cluster #8 Of 9), Eukaryotic | Eukaryotes | 940 | 1.05 | Binding ≤ 10μM |
| NOS3-6-E | Nitric Oxide Synthase, Endothelial (cluster #6 Of 7), Eukaryotic | Eukaryotes | 1200 | 1.04 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 940 | 1.05 | Binding ≤ 1μM |
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 940 | 1.05 | Binding ≤ 10μM |
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 1300 | 1.03 | Binding ≤ 10μM |
| NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 1200 | 1.04 | 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 |
No pre-computed analogs available. Try a structural similarity search.