| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2008 | 16 | No |
Popular Name: H-Arg(NO2)-OMe.HCl H-Arg(NO2)-OMe.HCl
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 127788-67-4 , 2149-70-4 , 51298-62-5 , 738551-26-3 , [51298-62-5]
(S)-Methyl 2-amino-5-(3-nitroguanidino)pentanoate hydrochloride
C04337; Ngamma-Nitro-L-arginine methyl ester
L-Ornithine, N(5)-(imino(nitroamino)methyl)-, methyl ester
Methyl (2S)-2-amino-5-[(amino-nitramido-methylidene)amino]pentanoate
methyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate
methyl (2S)-2-amino-5-{[imino(nitroamino)methyl]amino}pentanoate hydrochloride
methyl 2-amino-5-(1-nitrocarbamimidamido)pentanoate hydrochloride
methyl 2-amino-5-(3-nitrocarbamimidamido)pentanoate
methyl N5-(N'-nitrocarbamimidoyl)-L-ornithinate
N'-Nitro-L-arginine-methyl ester hydrochloride
N(5)-(Imino(nitroamino)methyl)-L-ornithine methyl ester
N(G)-Nitro-L-arginine methyl ester
N(G)-Nitroarginine methyl ester
N(sup G)-Nitro-L-arginine methyl ester
N-.omega.-Nitro-O-arginine methyl ester
N-Nitro-L-arginine methyl ester hydrochloride
N-Nitro-L-arginine methylester
N-omega-Nitro-L-arginine-methyl ester hydrochloride, 98%
N-omega-Nitro-O-arginine methyl ester
NG-Nitro-L-arginine-methyl ester hydrochloride, 98%
Ngamma-Nitro-L-arginine methyl ester
NoMega-Nitro-L-arginine Methyl Ester Hydrochloride
| 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) | -1.56 | 1.67 | -17.55 | 5 | 9 | 0 | 149 | 233.228 | 8 | ↓ |
| Ref Reference (pH 7) | -1.56 | 1.66 | -19.79 | 5 | 9 | 0 | 149 | 233.228 | 8 | ↓ |
| Mid Mid (pH 6-8) | -1.56 | 1.79 | -39.25 | 4 | 9 | -1 | 151 | 232.22 | 8 | ↓ |
| Mid Mid (pH 6-8) | -1.56 | 1.6 | -59.54 | 5 | 9 | 0 | 152 | 233.228 | 8 | ↓ |
| Mid Mid (pH 6-8) | -1.56 | 1.26 | -42.86 | 4 | 9 | -1 | 151 | 232.22 | 8 | ↓ |
| Mid Mid (pH 6-8) | -1.56 | 2 | -62.43 | 6 | 9 | 1 | 150 | 234.236 | 8 | ↓ |
| Mid Mid (pH 6-8) | -1.56 | 1.99 | -66.82 | 6 | 9 | 1 | 150 | 234.236 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 159 - 161 | Acros Organics |
| Melting_Point | 159-161? | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% min | APIChem |
| Target | NOS | Selleck Chemicals |
| Target | Others | Selleck Chemicals |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1-2-E | Nitric-oxide Synthase, Brain (cluster #2 Of 7), Eukaryotic | Eukaryotes | 690 | 0.54 | Binding ≤ 10μM |
| NOS1-2-E | Nitric-oxide Synthase, Brain (cluster #2 Of 7), Eukaryotic | Eukaryotes | 1600 | 0.51 | Binding ≤ 10μM |
| NOS2-7-E | Nitric Oxide Synthase, Inducible (cluster #7 Of 9), Eukaryotic | Eukaryotes | 830 | 0.53 | Binding ≤ 10μM |
| NOS2-7-E | Nitric Oxide Synthase, Inducible (cluster #7 Of 9), Eukaryotic | Eukaryotes | 8000 | 0.45 | Binding ≤ 10μM |
| NOS3-1-E | Nitric Oxide Synthase, Endothelial (cluster #1 Of 7), Eukaryotic | Eukaryotes | 680 | 0.54 | Binding ≤ 10μM |
| NOS3-1-E | Nitric Oxide Synthase, Endothelial (cluster #1 Of 7), Eukaryotic | Eukaryotes | 2700 | 0.49 | Binding ≤ 10μM |
| NOS1-2-E | Nitric-oxide Synthase, Brain (cluster #2 Of 3), Eukaryotic | Eukaryotes | 150 | 0.60 | Functional ≤ 10μM |
| NOS3-1-E | Nitric-oxide Synthase, Endothelial (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2700 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 830 | 0.53 | Binding ≤ 1μM |
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 690 | 0.54 | Binding ≤ 1μM |
| NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 680 | 0.54 | Binding ≤ 1μM |
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 830 | 0.53 | Binding ≤ 10μM |
| NOS2_MOUSE | P29477 | Nitric Oxide Synthase, Inducible, Mouse | 2600 | 0.49 | Binding ≤ 10μM |
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 690 | 0.54 | Binding ≤ 10μM |
| NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 680 | 0.54 | Binding ≤ 10μM |
| NOS1_RAT | P29476 | Nitric-oxide Synthase, Brain, Rat | 150 | 0.60 | Functional ≤ 10μM |
| NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 2700 | 0.49 | Functional ≤ 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 |
