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7ACC2

CAT: 0804-HY-D0713-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-D0713-02Size:5 mg
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Description
7ACC2 is a potent monocarboxylate transporter (MCT) inhibitor with an IC50 of 11 nM for inhibition of [14C]-lactate influx. 7ACC2 is also a potent inhibitor of mitochondrial pyruvate transport. 7ACC2 is an anticancer agent through inhibition of lactate flux[1][2].
CAS Number
1472624-85-3
UNSPSC
12352005
Hazard Statement
H302, H312, H332
Target
Mitochondrial Metabolism; Monocarboxylate Transporter
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/7ACC2.html
Purity
99.73
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
CN(C1=CC=C(C=C(C(O)=O)C(O2)=O)C2=C1)CC3=CC=CC=C3
Molecular Formula
C18H15NO4
Molecular Weight
309.32
Precautions
H302, H312, H332
References & Citations
[1]Draoui N, et al. Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells. Bioorg Med Chem. 2013 Nov 15;21 (22) :7107-17.|[2]Cyril Corbet, et al. Interruption of lactate uptake by inhibiting mitochondrial pyruvate transport unravels direct antitumor and radiosensitizing effects. Nat Commun. 2018 Mar 23;9 (1) :1208.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Inhibitory Antibodies
Clinical Information
No Development Reported

Chemical Information

7-(N-benzyl-N-methylamino)-2-oxo-2H-chromene-3-carboxylic acid

a monocarboxylate transporter inhibitor; structure in first source

CAS Number1472624-85-3
PubChem CID72696735
IUPAC Name7-[benzyl(methyl)amino]-2-oxochromene-3-carboxylic acid
Molecular FormulaC18H15NO4
Molecular Weight309.3
XLogP3.8
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity495
SMILES
CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)O
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
Chemical Structure
2D Structure
2D structure of 7-(N-benzyl-N-methylamino)-2-oxo-2H-chromene-3-carboxylic acid
CAS: 1472624-85-3
CID: 72696735
Formula: C18H15NO4
MW: 309.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight309.3
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass309.10010796
Monoisotopic Mass309.10010796
Topological Polar Surface Area66.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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