| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 30th, 2008 | 7 | Yes |
Popular Name: 2-Aminopyridine 2-Aminopyridine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 504-29-0 , [462-08-8] , [504-29-0]
| 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) | 0.52 | 1.48 | -4.52 | 2 | 2 | 0 | 39 | 94.117 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 105 / 20 | TCI |
| BP [°C] | 204 - 210 | Acros Organics |
| Boiling_Point | 209-211? | Alfa-Aesar |
| Boiling_Point | 209-211° | Alfa-Aesar |
| Mp [°C] | 55 - 60 | Acros Organics |
| Melting_Point | 56-60? | Alfa-Aesar |
| Melting_Point | 56-60° | Alfa-Aesar |
| MP | 58-60° | Matrix Scientific |
| MP | 61 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 99% | Matrix Scientific |
| H phrase | H301: Toxic if swallowed | Acros Organics |
| H phrase | H301: Toxic if swallowed; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Warnings | TOXIC | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1-5-E | Nitric-oxide Synthase, Brain (cluster #5 Of 7), Eukaryotic | Eukaryotes | 8700 | 1.01 | Binding ≤ 10μM |
| NOS2-8-E | Nitric Oxide Synthase, Inducible (cluster #8 Of 9), Eukaryotic | Eukaryotes | 1900 | 1.14 | Binding ≤ 10μM |
| NOS3-6-E | Nitric Oxide Synthase, Endothelial (cluster #6 Of 7), Eukaryotic | Eukaryotes | 2800 | 1.11 | Binding ≤ 10μM |
| P4K2A-1-E | PI4-kinase Type II (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7100 | 1.03 | Binding ≤ 10μM |
| P4K2B-1-E | PI4-kinase Type II Beta (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7100 | 1.03 | Binding ≤ 10μM |
| PI4KA-1-E | PI4-kinase Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7100 | 1.03 | Binding ≤ 10μM |
| PI4KB-2-E | PI4-kinase Beta Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7100 | 1.03 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 1900 | 1.14 | Binding ≤ 10μM |
| NOS1_RAT | P29476 | Nitric-oxide Synthase, Brain, Rat | 8700 | 1.01 | Binding ≤ 10μM |
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 1500 | 1.16 | Binding ≤ 10μM |
| NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 2800 | 1.11 | Binding ≤ 10μM |
| PI4KA_HUMAN | P42356 | PI4-kinase Alpha Subunit, Human | 7100 | 1.03 | Binding ≤ 10μM |
| PI4KB_HUMAN | Q9UBF8 | PI4-kinase Beta Subunit, Human | 7100 | 1.03 | Binding ≤ 10μM |
| P4K2A_HUMAN | Q9BTU6 | PI4-kinase Type II, Human | 7100 | 1.03 | Binding ≤ 10μM |
| P4K2B_HUMAN | Q8TCG2 | PI4-kinase Type II Beta, Human | 7100 | 1.03 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| eNOS activation | |
| Nitric oxide stimulates guanylate cyclase | |
| NOSIP mediated eNOS trafficking | |
| NOSTRIN mediated eNOS trafficking | |
| Phagosomal maturation (early endosomal stage) | |
| Synthesis of PIPs at the early endosome membrane | |
| Synthesis of PIPs at the ER membrane | |
| Synthesis of PIPs at the Golgi membrane | |
| Synthesis of PIPs at the plasma membrane | |
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | |
| VEGFR2 mediated vascular permeability |
