DISODIUM ASPARTATE

First marketed in 1921

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C4H5NO4.2Na
Molecular Weight	177.0663
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].N[C@@H](CC([O-])=O)C([O-])=O

InChI

InChIKey=XMXOIHIZTOVVFB-JIZZDEOASA-L

InChI=1S/C4H7NO4.2Na/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C4H5NO4
Molecular Weight	131.0868
Charge	-2
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.worldcat.org/title/fundamentals-of-biochemistry-life-at-the-molecular-level/oclc/910538334Advances in Protein Chemistry (1945), v.2, p.308, retrieved from: https://books.google.ru/books?id=QRyhIaEwrngC
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/15703381 | https://www.ncbi.nlm.nih.gov/pubmed/3814227 | https://www.ncbi.nlm.nih.gov/pubmed/16061593

Disodium aspartate is used in organic biosynthesis.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Isoaspartyl peptidase/L-asparaginase 8 Target ID: Q7L266 Gene ID: 80150.0 Gene Symbol: ASRGL1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/3334241 \| https://www.ncbi.nlm.nih.gov/pubmed/7056352	Interacts 323
Glutamate [NMDA] receptor 125 Target ID: CHEMBL2094124 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15703381	Activator 1430	18.4 µM [EC50]
Beta-glucuronidase 13 Target ID: P08236 Gene ID: 2990.0 Gene Symbol: GUSB Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/16061593	Inhibitor 8297

Conditions

Condition	Modality	Highest Phase	Product
Unknown 2578
Opiate abstinence syndrome 8 Sources: https://www.ncbi.nlm.nih.gov/pubmed/3814227	Primary	Natural Metabolite	Unknown Approved Use Unknown
Neonatal jaundice 8 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16061593	Primary	Natural Metabolite	Unknown Approved Use Unknown

Doses

Dose	Population	Adverse events
6 g 1 times / day multiple, oral Highest studied dose Dose: 6 g, 1 times / day Route: oral Route: multiple Dose: 6 g, 1 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/28841667	healthy, 22.4 ± 2.6 years n = 10 Health Status: healthy Age Group: 22.4 ± 2.6 years Sex: M Population Size: 10 Sources: https://pubmed.ncbi.nlm.nih.gov/28841667	Sources: https://pubmed.ncbi.nlm.nih.gov/28841667

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

Target	Modality	Activity	Metabolite	Clinical evidence
OAT1 603	inhibitor 3277 Sources: https://pubmed.ncbi.nlm.nih.gov/23255614/ Page: -	no

Drug as victim

Target	Modality	Activity
OAT1 326	substrate 3367 Sources: https://pubmed.ncbi.nlm.nih.gov/23255614/ Page: -	no
ASCT1 8	substrate 3367 Sources: https://onlinelibrary.wiley.com/doi/full/10.1046/j.1471-4159.2003.02063.x Page: -	yes
ASCT2 12	substrate 3367 Sources: https://onlinelibrary.wiley.com/doi/full/10.1046/j.1471-4159.2003.02063.x Page: -	yes
ASNS 8	substrate 3367 Sources: https://www.sciencedirect.com/science/article/pii/S1096719215300421 Page: -	yes
Aspartoacylase 8	substrate 3367 Sources: https://pubmed.ncbi.nlm.nih.gov/12706335/ Page: -	yes
SLC22A13 8	substrate 3367 Sources: https://pubmed.ncbi.nlm.nih.gov/24147638/ Page: -	yes

Sourcing

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
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
eMolecules	478747	https://www.emolecules.com/cgi-bin/more?vid=478747

PubMed

Title	Date	PubMed
Studies on the effects of lactate transport inhibition, pyruvate, glucose and glutamine on amino acid, lactate and glucose release from the ischemic rat cerebral cortex.	2001 Jan	11145998

Patents

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.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:48:22 GMT 2023` Edited by `admin` on `Fri Dec 15 19:48:22 GMT 2023`
Record UNII	48MC6MXP9X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DISODIUM ASPARTATE

Systematic Name

English

L-ASPARTIC ACID, DISODIUM SALT

Common Name

English

L-ASPARTIC ACID, SODIUM SALT (1:2)

Common Name

English

ASPARTIC ACID, DISODIUM SALT, L-

Common Name

English

DISODIUM L-ASPARTATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID501014348