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Metabolic Enzyme/Protease
Endogenous Metabolite
3,3-Dimethylglutaric acid - >98.0%, high purity , CAS No.4839-46-7

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3,3-Dimethylglutaric acid - >98.0%, high purity , CAS No.4839-46-7

COA

Grade & Purity:

≥98%

Cas Number: 4839-46-7
Molecular Weight: 160.17
Beilstein Registry Number: 1765439
EC Number: 225-425-0
MDL number: MFCD00002716
PubChem CID: 20984
PubChem SID: 488182656

In stock

Item Number

D138897

Grouped product items
SKU	Size	Availability	Price
D138897-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
D138897-5g	5g	3	$21.90
D138897-10g	10g	3	$32.90
D138897-25g	25g	3	$62.90
D138897-50g	50g	3	$112.90
D138897-250g	250g	4	$507.90

View related series

carboxylic acid (2098) Metabolite (5307) Non heterocyclic block (8163)

Basic Description

Synonyms	NSC 49114 \| Glutaric acid,3-dimethyl- \| D1322 \| UNII-TF8F62R475 \| .beta.,.beta.-Dimethylglutaric acid \| MFCD00002716 \| NCGC00247443-02 \| Pentanedioic acid, 3,3-dimethyl- \| b,b-Dimethylglutaric acid \| AC-8755 \| AM20100198 \| BB 0305522 \| Glutaric acid, 3,3-
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Reactant involved in:Cyclodehydration of diols;Synthesis of conjugates of betulin derivatives used as anti-HIV agents;Preparation of dimeric peptide antagonists of IgG-FcRn interaction;Microwave-assisted protection of glutaraldehyde;Synthesis of glycyrrhetinic acid derivatives for proteasome inhibition;Catalytic, asymmetric transannular aldolizations.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates
      - Level5 Branched fatty acids
        Level6 Methyl-branched fatty acids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Branched fatty acids
Direct Parent	Methyl-branched fatty acids
Alternative Parents	Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Methyl-branched fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.
External Descriptors	Dicarboxylic acids
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)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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	488182656
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182656
IUPAC Name	3,3-dimethylpentanedioic acid
INCHI	InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKey	DUHQIGLHYXLKAE-UHFFFAOYSA-N
Smiles	CC(C)(CC(=O)O)CC(=O)O
Isomeric SMILES	CC(C)(CC(=O)O)CC(=O)O
WGK Germany	3
Molecular Weight	160.17
Beilstein	1765439
Reaxy-Rn	1765439
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1765439&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.

9 results found

Lot Number	Certificate Type	Date	Item
F2325464	Certificate of Analysis	Apr 09, 2025	D138897
E2227288	Certificate of Analysis	Mar 14, 2024	D138897
E2227300	Certificate of Analysis	Mar 14, 2024	D138897
E2227293	Certificate of Analysis	Mar 14, 2024	D138897
E2227310	Certificate of Analysis	Mar 14, 2024	D138897
E2227297	Certificate of Analysis	Mar 14, 2024	D138897
J2113100	Certificate of Analysis	Jul 14, 2023	D138897
H2125029	Certificate of Analysis	Jun 07, 2023	D138897
C1919066	Certificate of Analysis	Nov 18, 2022	D138897

Chemical and Physical Properties

Solubility	Soluble in water; Soluble in Methanol
Melt Point(°C)	103 °C
Molecular Weight	160.170 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	160.074 Da
Monoisotopic Mass	160.074 Da
Topological Polar Surface Area	74.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	153.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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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