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Chemical structure of MCT-IN-1

GC73305

MCT-IN-1

Also known as (E)-2-cyano-3-[4-(dibutylamino)-2-methoxyphenyl]prop-2-enoic acid

MCT-IN-1 (compound 2) is a potent inhibitor of monocarboxylate transporter (MCT), with the IC50 of 9 nM and 14 nM for MCT1 and MCT4, respectively

ChemicalCAS1685273-57-7MW330.42FormulaC19H26N2O3
CAS number
1685273-57-7
Molecular weight
330.42
Formula
C19H26N2O3
Solubility
DMSO ： 200 mg/mL (605·29 mM; Need ultrasonic)
InChIKey
GDFPRWXAPVVXKC-FOWTUZBSSA-N
Catalogue number
GC73305
Brand
GLPBIO
Computed properties PubChem CID 71667548 · XLogP 4.4 · TPSA 73.6 Ų · H-bond donors 1
XLogP
4.4
TPSA
73.6 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
24

SMILES CCCCN(CCCC)C1=CC(=C(C=C1)/C=C(\C#N)/C(=O)O)OC

Computed descriptors from PubChem (CID 71667548), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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