Tilarginine

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
Tilarginine
Accession Number
DB11815
Type
Small Molecule
Groups
Approved, Investigational
Description

Tilarginine has been investigated for the basic science, treatment, and diagnostic of Obesity, Type 2 Diabetes, Ocular Physiology, and Regional Blood Flow.

Structure
Thumb
Synonyms
  • L-Monomethylarginine
  • L-Ng-monomethyl Arginine
  • L-NMMA
  • N-Methylarginine
  • N-Monomethyl-L-arginine
  • N(G)-Methylarginine
  • N(G)-Monomethyl-L-arginine
  • N5-(Methylamidino)-L-ornithine
  • NG-Monomethyl-L-arginine
  • omega-N-Methylarginine
  • omega-N-Monomethylarginine
  • Targinine
  • Tilarginine
Product Ingredients
IngredientUNIICASInChI Key
Tilarginine acetate2FL3530AF253308-83-1IKPNWIGTWUZCKM-JEDNCBNOSA-N
Tilarginine citrateO529X01226209913-88-2YKWLPIRSUICUFT-JEDNCBNOSA-N
Tilarginine hydrochloride0MT60FH25O156706-47-7QYGXVJHXZUSLQC-JEDNCBNOSA-N
Categories
UNII
27JT06E6GR
CAS number
17035-90-4
Weight
Average: 188.2275
Monoisotopic: 188.127325776
Chemical Formula
C7H16N4O2
InChI Key
NTNWOCRCBQPEKQ-YFKPBYRVSA-N
InChI
InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
IUPAC Name
(2S)-2-amino-5-(3-methylcarbamimidamido)pentanoic acid
SMILES
CNC(=N)NCCC[C@H](N)C(O)=O

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0029416
KEGG Compound
C03884
PubChem Compound
132862
PubChem Substance
347828162
ChemSpider
117259
BindingDB
92900
ChEBI
60257
ChEMBL
CHEMBL256147
HET
NMM
Wikipedia
Methylarginine
PDB Entries
2v85 / 3kb7 / 4kuk / 5dwq / 5dx1 / 5dx8 / 5dxa / 5fbj / 5tdc / 5va6
show 1 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0Active Not RecruitingDiagnosticPostural Tachycardia Syndrome / Syncope, Vasovagal1
0TerminatedDiagnosticPhysiology, Ocular / Regional Blood Flow1
1Active Not RecruitingBasic ScienceBMI >30 kg/m2 / Insulin Resistance1
1CompletedNot AvailableAutosomal Dominant Polycystic Kidney Disease (ADPKD) / Glomerulonephritis1
1CompletedNot AvailableBMI >30 kg/m2 / High Blood Pressure (Hypertension)1
1CompletedNot AvailableCongestive Heart Failure (CHF)1
1CompletedNot AvailableHealthy Volunteers1
1CompletedNot AvailableHigh Blood Pressure (Hypertension)1
1CompletedNot AvailableLiver Cirrhosis1
1CompletedBasic ScienceDisturbance of Salivary Secretion / Upper gastrointestinal motility disorders1
1CompletedBasic ScienceSarcopenia1
1CompletedTreatmentEndotoxaemia1
1CompletedTreatmentHealthy Volunteers2
1CompletedTreatmentSickle Cell Disorders2
1RecruitingBasic ScienceMetabolic Syndromes1
1RecruitingTreatmentBladder transitional cell carcinoma / Classical Hodgkin Lymphoma / DNA Repair-Deficiency Disorders / Head and Neck Squamous Cell Carcinoma (HNSCC) / Lung Cancer Non-Small Cell Cancer (NSCLC) / Malignant Melanoma1
1TerminatedTreatmentHuman Immunodeficiency Virus (HIV)1
1Unknown StatusTreatmentLiver Cirrhosis1
1WithdrawnBasic ScienceArterial hypoxia / Hypercapnia1
1, 2RecruitingTreatmentMetastatic Triple Negative Breast Cancer1
2CompletedTreatmentEndothelium-Derived Relaxing Factor / Healthy Volunteers / Nitric Oxide1
2CompletedTreatmentPhysiology, Ocular / Regional Blood Flow1
2CompletedTreatmentSickle Cell Disorders2
2RecruitingTreatmentAnemias1
2TerminatedDiagnosticHyperlipidemias1
2WithdrawnTreatmentOptic Disk / Physiology, Ocular / Regional Blood Flow1
2, 3RecruitingBasic ScienceHyperlipidemias1
3TerminatedTreatmentShock, Cardiogenic1
4CompletedBasic ScienceHealthy Volunteers / Obstructive Sleep Apnea (OSA)1
4CompletedOtherBMI >30 kg/m21
4CompletedTreatmentType 2 Diabetes Mellitus1
Not AvailableCompletedNot AvailableHigh Blood Pressure (Hypertension) / Progressive autonomic failure1
Not AvailableCompletedBasic ScienceHealthy Volunteers1
Not AvailableCompletedBasic SciencePeripheral Arterial Disease (PAD)1
Not AvailableCompletedHealth Services ResearchBMI >30 kg/m21
Not AvailableCompletedTreatmentFatty Acids, Nonesterified / Glomerular Filtration Rate (GFR) / Renal Circulation / Renal Plasma Flow1
Not AvailableCompletedTreatmentHealthy Volunteers1
Not AvailableRecruitingNot AvailableAging / Cardiovascular Disease (CVD)1
Not AvailableRecruitingBasic ScienceCold / Hyperemia / Raynaud's Disease1
Not AvailableTerminatedBasic ScienceHealthy Volunteers1
Not AvailableUnknown StatusBasic ScienceHypertension,Essential1

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 Solubility1.45 mg/mLALOGPS
logP-3.5ALOGPS
logP-2.9ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)2.48ChemAxon
pKa (Strongest Basic)12.64ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area111.23 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity58.7 m3·mol-1ChemAxon
Polarizability20.01 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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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
L-alpha-amino acids / Fatty acids and conjugates / Guanidines / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Carboximidamides / Organopnictogen compounds / Organic oxides / Monoalkylamines
show 3 more
Substituents
Arginine or derivatives / Alpha-amino acid / L-alpha-amino acid / Fatty acid / Guanidine / Amino acid / Carboximidamide / Monocarboxylic acid or derivatives / Carboxylic acid / Hydrocarbon derivative
show 12 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
guanidines, non-proteinogenic L-alpha-amino acid, L-arginine derivative (CHEBI:28229)

Drug created on October 20, 2016 14:50 / Updated on June 04, 2019 07:27