Methylmalonic Acid - Moligand™, 10mM in DMSO , Agonist of succinate receptor, CAS No.516-05-2, Agonist of succinate receptor

CAS: 516-05-2 Cat. No.: M424434 Molecular Weight: 118.09 EC Number: 208-219-5

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

2-Methylpropanedioicacid | alpha-methylmalonic acid | Propanedioic acid, methyl- (9CI) | bmse000398 | InChI=1/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8 | 2-Methylpropanedioic acid | 2-methyl-propanedioic acid | AKOS009157181 | FT-0671897 | LMFA0117011

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

2-Methylpropanedioicacid | alpha-methylmalonic acid | Propanedioic acid, methyl- (9CI) | bmse000398 | InChI=1/C4H6O4/c1-2(3(5)6)4(7)8/h2H, 1H3, (H, 5, 6)(H, 7, 8 | 2-Methylpropanedioic acid | 2-methyl-propanedioic acid | AKOS009157181 | FT-0671897 | LMFA0117011

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

Intracellularly produces malonate, a reversible succinate dehydrogenase inhibitor used to generate Huntington's disease models. Induces apoptotic cell death in striatal neurons.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of succinate receptor

Names and Identifiers

• Canonical Smiles: CC(C(=O)O)C(=O)O
• IUPAC Name: 2-methylpropanedioic acid
• InChIKey: ZIYVHBGGAOATLY-UHFFFAOYSA-N
• INCHI: 1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
• Isomeric SMILES: CC(C(=O)O)C(=O)O
• WGK Germany: 3
• RTECS: OO1400000
• Molecular Weight: 118.09
• Reaxy-Rn: 1756084
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1756084&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: 1,3-dicarbonyl compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid - 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 dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: Dicarboxylic acids

Data sources

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)

SUCNR1 Tchem Succinate receptor 1 (2 Activities)

Discover Target: SUCNR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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

SRR Tbio Serine racemase (249 Activities)

Discover Target: SRR

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

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

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

TSG101 Tbio Tumor susceptibility gene 101 protein (2874 Activities)

Discover Target: TSG101

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 128-130°C
• Molecular Weight: 118.090 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 118.027 Da
• Monoisotopic Mass: 118.027 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• 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

References

1. Yuan Su, Si Li, Xin Li, Jing-Ying Zhou, Vraj P. Chauhan, Meng Li, Ya-Hui Su, Chun-Mei Liu, Yi-Fei Ren, Wu Yin, Jeffrey D. Rimer, Ting Cai.  (2024)  Tartronic Acid as a Potential Inhibitor of Pathological Calcium Oxalate Crystallization.  Advanced Science,      [PMID:38647258] [10.1002/advs.202400642]