ASPARTIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C4H7NO4
Molecular Weight	133.1027
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

N[C@@H](CC(O)=O)C(O)=O

InChI

InChIKey=CKLJMWTZIZZHCS-REOHCLBHSA-N

InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C4H7NO4
Molecular Weight	133.1027
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description

Disodium aspartate is used in organic biosynthesis.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Isoaspartyl peptidase/L-asparaginase 8	Interacts 323
Glutamate [NMDA] receptor 125	Activator 1,430	18.4 µM [EC50]
Beta-glucuronidase 13	Inhibitor 8,297

Conditions

Condition	Modality	Highest Phase	Product
Unknown 2,578
Opiate abstinence syndrome 8	Primary	Natural Metabolite	Unknown
Neonatal jaundice 8	Primary	Natural Metabolite	Unknown

Doses

Doses

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Dose	Population	Adverse events
6 g 1 times / day multiple, oral Highest studied dose	healthy, 22.4 ± 2.6 years

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Overview

CYP3A4	CYP2C9	CYP2D6	hERG

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
OAT1 599	Aspartoacylase 8 ASNS 8 ASCT2 12 ASCT1 8 SLC22A13 8 OAT1 326

Drug as perpetrator

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Target	Modality	Activity	Metabolite	Clinical evidence
OAT1 603	inhibitor 3,277	no

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Drug as victim

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Target	Modality	Activity
OAT1 326	substrate 3,367	no
ASCT1 8	substrate 3,367	yes
ASCT2 12	substrate 3,367	yes
ASNS 8	substrate 3,367	yes
Aspartoacylase 8	substrate 3,367	yes

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Sourcing

Sourcing

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Vendor/Aggregator	ID	URL
ChEBI	CHEBI:22660	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:22660
ChemicalBook	CB7233502	https://www.chemicalbook.com/ChemicalProductProperty_EN_CB7233502
eMolecules	478747	https://www.emolecules.com/cgi-bin/more?vid=478747
MolPort	MolPort-001-781-456	https://www.molport.com/shop/molecule-link/MolPort-001-781-456
MolPort	MolPort-047-345-807	https://www.molport.com/shop/molecule-link/MolPort-047-345-807

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PubMed

Show entries

Title	Date	PubMed
L-amino acid sensing by the extracellular Ca2+-sensing receptor.	2000 Apr 25	10781086
Ketanserin for the treatment of preeclampsia.	2001	11234612
Phase I and pharmacokinetic study of ecteinascidin 743 administered as a 72-hour continuous intravenous infusion in patients with solid malignancies.	2001 Feb	11234874
Aging-induced changes in 24-h rhythms of mitogenic responses, lymphocyte subset populations and neurotransmitter and amino acid content in rat submaxillary lymph nodes during Freund's adjuvant arthritis.	2001 Feb	11226742
Protective effect of allopurinol on hepatic energy metabolism in ischemic and reperfused rat liver.	2001 Feb	11220638

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Sample Use Guides

In Vivo Use Guide

Aspartic acid is a nutrient component found in animal and vegetable sources. In clinical trials to alleviate opioid abstinence it was administered orally.

Route of Administration: Oral

In Vitro Use Guide

Activation of recombinant NMDA receptors was measured using two-electrode voltage clamp. Current and voltage electrodes were made from thin-walled borosilicate glass using a PP-830 electrode puller and when filled with 3 M KCl, possessed resistances of between 0.5 and 1.5 MΩ. Oocytes were voltage-clamped at potentials of -40 mV. Aspartate was able to activate wild type NR1/NR2A NMDA receptors with EC50 of 18.4 uM.