Sarcosine

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

Identification

Name
Sarcosine
Accession Number
DB12519
Type
Small Molecule
Groups
Investigational
Description

Sarcosine has been investigated for the treatment of Schizophrenia.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
Z711V88R5F
CAS number
107-97-1
Weight
Average: 89.0932
Monoisotopic: 89.047678473
Chemical Formula
C3H7NO2
InChI Key
FSYKKLYZXJSNPZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
IUPAC Name
2-(methylamino)acetic acid
SMILES
CNCC(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
HMDB0000271
KEGG Compound
C00213
PubChem Compound
1088
PubChem Substance
347828749
ChemSpider
1057
BindingDB
50017225
ChEBI
57433
ChEMBL
CHEMBL304383
HET
SAR
Wikipedia
Sarcosine
PDB Entries
173d / 1a7y / 1a7z / 1bck / 1c5f / 1csa / 1cwa / 1cwb / 1cwc / 1cwf
show 76 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentDepression / Major Depressive Disorder (MDD)1
2CompletedTreatmentObsessive Compulsive Disorder (OCD)1
2CompletedTreatmentPsychosis / Psychotic Disorder NOS / Schizophrenias / Schizophrenic Disorders2
2CompletedTreatmentSchizophrenic Disorders1
2WithdrawnTreatmentPsychosis / Psychotic Disorder NOS / Schizophrenias / Schizophrenic Disorders1

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 Solubility308.0 mg/mLALOGPS
logP-3.1ALOGPS
logP-3.2ChemAxon
logS0.54ALOGPS
pKa (Strongest Acidic)2.06ChemAxon
pKa (Strongest Basic)10.35ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area49.33 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity20.78 m3·mol-1ChemAxon
Polarizability8.66 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
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)GC-MSsplash10-014i-0900000000-3703e9255c5a3d53576e
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)GC-MSsplash10-00xr-9800000000-b066cf015be7d1b1ec05
GC-MS Spectrum - GC-MS (2 TMS)GC-MSsplash10-014i-0900000000-73acbf4b13dbcd53efe1
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - EI-BGC-MSsplash10-014i-0900000000-22864bae97055c3845b6
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-014i-0900000000-3703e9255c5a3d53576e
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00xr-9800000000-b066cf015be7d1b1ec05
GC-MS Spectrum - GC-MSGC-MSsplash10-014i-0900000000-73acbf4b13dbcd53efe1
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-014i-0900000000-9559630483fd184becb6
Mass Spectrum (Electron Ionization)MSsplash10-0006-9000000000-335905bb8c6b7e52ff70
MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)LC-MS/MSsplash10-0006-9000000000-da0fd904589ef164065a
MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)LC-MS/MSsplash10-0006-9000000000-6b30a9c471d171cacad9
MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)LC-MS/MSsplash10-0006-9000000000-851a04dbd34e75febf9d
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, NegativeLC-MS/MSsplash10-000i-9000000000-86301ee1b7f5d158901e
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, NegativeLC-MS/MSsplash10-000i-9000000000-32b1ca1874d0fcb3f9c7
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, NegativeLC-MS/MSsplash10-000i-9000000000-37db595fcf7364600bc9
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, PositiveLC-MS/MSsplash10-0006-9000000000-0b3e92ad374e013024ea
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, PositiveLC-MS/MSsplash10-0006-9000000000-ef853c67634f1a7da8f5
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, PositiveLC-MS/MSsplash10-0006-9000000000-63e1ee6f897ea7a61e52
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, PositiveLC-MS/MSsplash10-0006-9000000000-bab0ab3587973d3ad4aa
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, PositiveLC-MS/MSsplash10-0006-9000000000-d017a51a9abbbcf31dce
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-5fd27462e0d106e4c5a6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-4f822ba462b1fbffce17
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-4125b1890cbe03ae7283
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-9000000000-c7e62ee2909dfb0a067c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-9000000000-8d4f2d4c6d399cbf0c9f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-9000000000-c8a4e61d51664ed38b96
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-000i-9000000000-86301ee1b7f5d158901e
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-000i-9000000000-645df370acbb7cac5322
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-000i-9000000000-37db595fcf7364600bc9
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0006-9000000000-0b3e92ad374e013024ea
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0006-9000000000-ef853c67634f1a7da8f5
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0006-9000000000-5701e8afc0a34aa34653
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0006-9000000000-bab0ab3587973d3ad4aa
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0006-9000000000-d017a51a9abbbcf31dce
13C NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
[1H,1H] 2D NMR Spectrum2D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable

Taxonomy

Description
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acids
Alternative Parents
Amino acids / Monocarboxylic acids and derivatives / Dialkylamines / Carboxylic acids / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Alpha-amino acid / Amino acid / Carboxylic acid / Secondary aliphatic amine / Monocarboxylic acid or derivatives / Secondary amine / Organic nitrogen compound / Hydrocarbon derivative / Organooxygen compound / Organonitrogen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
N-alkylglycine, N-methyl-amino acid, N-methylglycines (CHEBI:15611)

Drug created on October 20, 2016 16:41 / Updated on November 02, 2018 07:26