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7ACC2 - 10mM in DMSO, high purity , CAS No.1472624-85-3, Inhibitor of Monocarboxylate transporter 2
Basic Description
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
Specifications & Purity
Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms
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.
Storage Temp
Protected from light,Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of Monocarboxylate transporter 2
Product Description
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
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
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.
Product Properties
ALogP
3.235
hba_count
3
Rotatable Bond
4
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
7-[benzyl(methyl)amino]-2-oxochromene-3-carboxylic acid
INCHI
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)
InChIKey
XTKDQPFUOFAMRL-UHFFFAOYSA-N
Smiles
CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)O
Isomeric SMILES
CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)O
Molecular Weight
309.32
Reaxy-Rn
24094831
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24094831&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
light sensitive
DMSO(mg / mL) Max Solubility
62
DMSO(mM) Max Solubility
200.439674123885
Water(mg / mL) Max Solubility
＜1
Molecular Weight
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
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