N-omega-nitro-L-arginine methyl ester

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
N-omega-nitro-L-arginine methyl ester
Accession Number
DB12750
Type
Small Molecule
Groups
Investigational
Description

L-NAME has been investigated for the treatment of Hypotension and Spinal Cord Injury.

Structure
Thumb
Synonyms
  • L-NAME
  • N-nitro-arginine methyl ester
  • Ng-nitro-L-arginine methyl ester
Categories
UNII
V55S2QJN2X
CAS number
50903-99-6
Weight
Average: 233.228
Monoisotopic: 233.112403983
Chemical Formula
C7H15N5O4
InChI Key
KCWZGJVSDFYRIX-YFKPBYRVSA-N
InChI
InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1
IUPAC Name
methyl (2S)-2-amino-5-(N'-nitrocarbamimidamido)pentanoate
SMILES
[H][C@](N)(CCCNC(=N)NN(=O)=O)C(=O)OC

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C04337
PubChem Compound
39836
PubChem Substance
347828939
ChemSpider
36427
BindingDB
50098937
ChEBI
7549
ChEMBL
CHEMBL7890

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceCardiovascular Disease (CVD) / Cardiovascular Risk Factors / Vasoconstriction1
1RecruitingBasic ScienceCardiovascular Disease (CVD) / Cardiovascular Risk Factors / Vasoconstriction2
2CompletedTreatmentOrthostatic Hypotension / Spinal Cord Injuries (SCI)1
Not AvailableCompletedBasic ScienceCardiovascular Disease (CVD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.698 mg/mLALOGPS
logP-0.76ALOGPS
logP-1ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)10.05ChemAxon
pKa (Strongest Basic)8.15ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area146.05 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity65.68 m3·mol-1ChemAxon
Polarizability22.16 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as arginine and derivatives. These are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Arginine and derivatives
Alternative Parents
Alpha amino acid esters / Nitroguanidines / Fatty acid esters / Nitramines / Methyl esters / Monocarboxylic acids and derivatives / Carboximidamides / Organopnictogen compounds / Organic zwitterions / Organic oxides
show 4 more
Substituents
Arginine or derivatives / Alpha-amino acid ester / Nitroguanidine / Fatty acid ester / Fatty acyl / Nitramine / Methyl ester / Carboxylic acid ester / Guanidine / Organic nitro compound
show 18 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
alpha-amino acid ester, L-arginine derivative (CHEBI:7549)

Drug created on October 20, 2016 18:01 / Updated on November 02, 2019 03:02