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N-Acetyl-DL-aspartic acid - ≥95%, high purity , CAS No.2545-40-6

COA

Grade & Purity:

≥95%

Cas Number: 2545-40-6
Molecular Weight: 175.14
EC Number: 219-827-5
MDL number: MFCD00063183
PubChem CID: 97508
PubChem SID: 504756370

In stock

Item Number

N136138

Grouped product items
SKU	Size	Availability	Price
N136138-250mg	250mg	3	$17.90
N136138-1g	1g	3	$53.90
N136138-5g	5g	2	$206.90
N136138-25g	25g	2	$927.90

Basic Description

Synonyms	N-Acetyl-DL-aspartic acid \| 2545-40-6 \| 2-Acetamidosuccinic acid \| Ac-DL-Asp-OH \| 2-acetamidobutanedioic acid \| DL-Aspartic acid, N-acetyl- \| N-Acetyl-L-AsparticAcid-d3 \| Aspartic acid, N-acetyl (R,S) \| N-Acetyl-DL-aspartic-2,3,3-d3 Acid \| 2-acetamidosuccinate \| C6H9NO5 \| Ac-A
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Aspartic acid and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Aspartic acid and derivatives
Alternative Parents	N-acyl-alpha amino acids Fatty acids and conjugates Dicarboxylic acids and derivatives Acetamides Secondary carboxylic acid amides Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Aspartic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Dicarboxylic acid or derivatives - Fatty acid - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

Discover Target: BRCA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HSPA5 Tchem 78 kDa glucose-regulated protein (3319 Activities)

Discover Target: HSPA5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Slc22a20 Solute carrier family 22 member 20 (86 Activities)

Discover Target: Slc22a20

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slc22a6 Solute carrier family 22 member 6 (141 Activities)

Discover Target: Slc22a6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504756370
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756370
IUPAC Name	2-acetamidobutanedioic acid
INCHI	InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)
InChIKey	OTCCIMWXFLJLIA-UHFFFAOYSA-N
Smiles	CC(=O)NC(CC(=O)O)C(=O)O
Isomeric SMILES	CC(=O)NC(CC(=O)O)C(=O)O
Molecular Weight	175.14
Reaxy-Rn	1726197
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1726197&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
B23031074	Certificate of Analysis	Nov 14, 2024	N136138
B23031069	Certificate of Analysis	Nov 06, 2024	N136138
B23031335	Certificate of Analysis	Nov 06, 2024	N136138
B23031068	Certificate of Analysis	Nov 06, 2024	N136138
B23031355	Certificate of Analysis	Nov 06, 2024	N136138
F1525089	Certificate of Analysis	Jan 24, 2023	N136138

Chemical and Physical Properties

Molecular Weight	175.140 g/mol
XLogP3	-1.100
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	175.048 Da
Monoisotopic Mass	175.048 Da
Topological Polar Surface Area	104.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	212.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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