7ACC2 - Moligand™, 10mM in DMSO , Inhibitor of Monocarboxylate transporter 2, CAS No.1472624-85-3, Inhibitor of Monocarboxylate transporter 2

CAS: 1472624-85-3 Cat. No.: A421716 Formule: C₁₈H₁₅NO₄ Poids moléculaire: 309.32

QUALITÉ & PURETÉ Moligand™, 10mM in DMSO

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-methylamino)-2-ox

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

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

Spécifications

Synonymes

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-methylamino)-2-ox

Spécifications et pureté

Moligand™, 10mM in DMSO

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Protected from light,Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of Monocarboxylate transporter 2

Propriétés du produit

ALogP

3.235

hba_count

3

Liaison rotative

4

Noms et identifiants

Pubchem Sid

528762828

Sourires canoniques

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)

Isomères SMILES

CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)O

Poids moléculaire

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
    • Classe Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• DMSO (mg/mL) Solubilité maximale: 62
• DMSO (mM) Solubilité maximale: 200.439674123885
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 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