| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 28th, 2006 | 5 | No |
Popular Name: Aminoguanidine Aminoguanidine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10308-82-4 , 1068-42-4 , 1937-19-5 , 2582-30-1 , 79-17-4 , [2582-30-1] , [996-19-0]
1937-19-5; Aminoguanidine hydrochloride; D05479; Pimagedine hydrochloride (USAN)
Aminoguanidine (hydrochloride)
Aminoguanidine hydrochloride, 98%
Aminoguanidine hydrogen carbonate
Aminoguanidine hydrogen carbonate, 98+%
Pimagedine (INN); Pimagedine HCl (USAN)
| 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) | -2.27 | -7.4 | -28.95 | 7 | 4 | 1 | 89 | 75.095 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 145 - 147 | Acros Organics |
| ALOGPS_SOLUBILITY | 8.36e+00 g/l | DrugBank-experimental |
| Mp [°C] | >160 | Acros Organics |
| UniProt Database Links | AAUA_ALCFA; AAUB_ALCFA; AOXA_MOUSE; LODA_MARM1; NFDA_ARTPS; PAO3_ARATH; RPFB_MYCTE | ChEBI |
| Melting_Point | ca 170? dec. | Alfa-Aesar |
| Melting_Point | ca 170° dec. | Alfa-Aesar |
| therap | glycosylation inhibitor | MicroSource Spectrum |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation; H272: May intensify fire; oxidizer | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation | Acros Organics |
| Hazard | O: Oxidizing | Acros Organics |
| Hazard | O: Oxidizing; XI: Irritant | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R8: Contact with combustible material may cause fire. | Acros Organics |
| R phrase | R8: Contact with combustible material may cause fire.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S17: Keep away from combustible material. | Acros Organics |
| S phrase | S17: Keep away from combustible material.; 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 |
| 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 | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABP1-3-E | Diamine Oxidase (cluster #3 Of 4), Eukaryotic | Eukaryotes | 140 | 1.92 | Binding ≤ 10μM |
| NOS1-4-E | Nitric-oxide Synthase, Brain (cluster #4 Of 7), Eukaryotic | Eukaryotes | 5900 | 1.46 | Binding ≤ 10μM |
| NOS2-6-E | Nitric Oxide Synthase, Inducible (cluster #6 Of 9), Eukaryotic | Eukaryotes | 3900 | 1.51 | Binding ≤ 10μM |
| NOS1-1-E | Nitric-oxide Synthase, Brain (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6000 | 1.46 | Functional ≤ 10μM |
| NOS2-3-E | Nitric Oxide Synthase, Inducible (cluster #3 Of 3), Eukaryotic | Eukaryotes | 4500 | 1.50 | Functional ≤ 10μM |
| Z80418-8-O | RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #8 Of 9), Other | Other | 50 | 2.04 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABP1_HUMAN | P19801 | Diamine Oxidase, Human | 140 | 1.92 | Binding ≤ 1μM |
| ABP1_HUMAN | P19801 | Diamine Oxidase, Human | 140 | 1.92 | Binding ≤ 10μM |
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 3900 | 1.51 | Binding ≤ 10μM |
| NOS2_MOUSE | P29477 | Nitric Oxide Synthase, Inducible, Mouse | 9000 | 1.41 | Binding ≤ 10μM |
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 3300 | 1.53 | Binding ≤ 10μM |
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 4500 | 1.50 | Functional ≤ 10μM |
| NOS1_RAT | P29476 | Nitric-oxide Synthase, Brain, Rat | 6000 | 1.46 | Functional ≤ 10μM |
| Z80418 | Z80418 | RAW264.7 (Monocytic-macrophage Leukemia Cells) | 2700 | 1.56 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nitric oxide stimulates guanylate cyclase | |
| Phagosomal maturation (early endosomal stage) |
