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 分子式: C₄H₆O₄ 分子量: 118.09 EC番号: 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

同義語

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

仕様と純度

Moligand™, 10mM in DMSO

生化学的・生理学的メカニズム

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

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of succinate receptor

名前と識別子

• パブケム・シド: 528773439
• カノニカル・スマイル: 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)
• 異性体SMILES: CC(C(=O)O)C(=O)O
• WGKドイツ: 3
• RTECS: OO1400000
• 分子量: 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
    • 分類 Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 128-130°C
• 分子量: 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

参考文献

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]