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Basic Description
| Synonyms | 3,3-DIMETHYLGLUTARIC ACID | 4839-46-7 | 3,3-Dimethylpentanedioic acid | Pentanedioic acid, 3,3-dimethyl- | 3,3-Dimethylglutarate | Glutaric acid, 3,3-dimethyl- | MFCD00002716 | 3,3-dimethyl-pentanedioic acid | .beta.,.beta.-Dimethylglutaric acid | 3,3-dimethylpentanedioate |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| 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
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
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Subclass
Fatty acids and conjugates
- Level5 Branched fatty acids
- Level6 Methyl-branched fatty acids
- Level5 Branched fatty acids
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Subclass
Fatty acids and conjugates
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Class
Fatty Acyls
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Superclass
Lipids and lipid-like molecules
| 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 |
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Associated Targets(Human)
GNAS
Tbio
Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SMAD3
Tchem
Mothers against decapentaplegic homolog 3 (68039 Activities)
| 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)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| 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:
Chemical and Physical Properties
| 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 Ų |
| 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 |
Solution Calculators
Reviews
Customer Reviews
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