7ACC2 - Moligand™, ≥98% , Inhibitor of Monocarboxylate transporter 2, CAS No.1472624-85-3, Inhibitor of Monocarboxylate transporter 2

CAS: 1472624-85-3 Cat. No.: A413605 分子式: C₁₈H₁₅NO₄ 分子量: 309.32

GRADE & PURITY Moligand™, ≥98%

Synonyms

7-(benzyl(methyl)amino)-2-oxo-2H-chromene-3-carboxylic acid | 7-[Benzyl(methyl)amino]-2-oxo-2H-chromene-3-carboxylic acid | 7-Aminocarboxycoumarin 2 | 7-ACC2 | 7-[Methyl(phenylmethyl)amino]-2-oxo-2H-1-benzopyran-3-carboxylic acid | 7-(N-Benzyl-N-methylami

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

7ACC2 7ACC2 is a potent inhibitor of mitochondrial pyruvate transport 1 (MCT1) with an IC50 value of 10 nM for lactate uptake in SiHa human cervix carcinoma cells.

Targets

MCT1

Specifications

同義語

7-(benzyl(methyl)amino)-2-oxo-2H-chromene-3-carboxylic acid | 7-[Benzyl(methyl)amino]-2-oxo-2H-chromene-3-carboxylic acid | 7-Aminocarboxycoumarin 2 | 7-ACC2 | 7-[Methyl(phenylmethyl)amino]-2-oxo-2H-1-benzopyran-3-carboxylic acid | 7-(N-Benzyl-N-methylami

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

7ACC2 is a potent inhibitor of mitochondrial pyruvate transport 1 (MCT1) with an IC50 value of 10 nM for lactate uptake in SiHa human cervix carcinoma cells.

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

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

INHIBITOR

作用メカニズム

Inhibitor of Monocarboxylate transporter 2

純度

≥98%

製品の性質

• ALogP: 3.235
• hba_count: 3
• 回転可能な結合: 4

名前と識別子

• パブケム・シド: 504772288
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504772288
• カノニカル・スマイル: CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)O
• IUPAC Name: 7-[benzyl(methyl)amino]-2-oxochromene-3-carboxylic acid
• InChIKey: XTKDQPFUOFAMRL-UHFFFAOYSA-N
• INCHI: 1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)
• 異性体SMILES: CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)O
• 分子量: 309.32
• Reaxy-Rn: 24094831
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24094831&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans Phenylmethylamines Dialkylarylamines Benzylamines Pyranones and derivatives Aralkylamines Heteroaromatic compounds Lactones Amino acids Oxacyclic compounds Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Benzopyran - 1-benzopyran - Benzylamine - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Aralkylamine - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Amino acid - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• External Descriptors: Not available

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）

SLC16A7 Tchem Monocarboxylate transporter 2 (1 Activities)

Discover Target: SLC16A7

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

SLC16A3 Tchem Monocarboxylate transporter 4 (2 Activities)

Discover Target: SLC16A3

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

SiHa (2051 Activities)

Explore this target

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

Liver microsomes (16955 Activities)

Explore this target

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

Liver (3974 Activities)

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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）

Mus musculus (284745 Activities)

Explore this target

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

Plasma (328 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

• 溶解度: Solubility (25°C) In vitro DMSO: 62 mg/mL (200.43 mM); Water: Insoluble; Ethanol: Insoluble
• 感度: light sensitive
• DMSO（mg / mL） 最大溶解度: 62
• DMSO（mM） 最大溶解度: 200.439674123885
• 水（mg / mL） 最大溶解度: ＜1
• 分子量: 309.300 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 309.1 Da
• Monoisotopic Mass: 309.1 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 495.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1472624-85-3, the molecular formula is C18H15NO4, and the molecular weight is 309.32 g/mol. InChIKey XTKDQPFUOFAMRL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.