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MSC-4381

CAT: 0013-GTR19244047-03Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244047-03Size:2 mg
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Description
MSC-4381 (MCT4-IN-1) is an orally active and selective monocarboxylate transporter 4 (MCT4/SLC16A3) inhibitor with an IC50 of 77 nM and a Ki of 11 nM. MSC-4381 targets to the cytosolic domain of MCT4. MSC-4381 results in lactate efflux inhibition and reduction of cellular viability in MCT4 high expressing cells. MSC-4381 has the potential for MCT4 transporter inhibition research. MSC-4381 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
CAS Number
2445185-57-7
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 83.33 mg/mL (154.90 mM; Ultrasonic (<60°C)
Smiles
CCOc1ccc (c2ncccc12) S (=O) (=O) Nc1ccc (Cl) cc1C#Cc1cnc (cc1OC) C (O) =O
Molecular Formula
C26H20ClN3O6S
Molecular Weight
537.97
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Mct4-IN-1
CAS Number2445185-57-7
PubChem CID150189198
IUPAC Name5-[2-[5-chloro-2-[(5-ethoxyquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-methoxypyridine-2-carboxylic acid
Molecular FormulaC26H20ClN3O6S
Molecular Weight538.0
XLogP4.5
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity962
SMILES
CCOC1=C2C=CC=NC2=C(C=C1)S(=O)(=O)NC3=C(C=C(C=C3)Cl)C#CC4=CN=C(C=C4OC)C(=O)O
InChI
InChI=1S/C26H20ClN3O6S/c1-3-36-22-10-11-24(25-19(22)5-4-12-28-25)37(33,34)30-20-9-8-18(27)13-16(20)6-7-17-15-29-21(26(31)32)14-23(17)35-2/h4-5,8-15,30H,3H2,1-2H3,(H,31,32)
InChIKey
FNBUZGRPJLEIMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mct4-IN-1
CAS: 2445185-57-7
CID: 150189198
Formula: C26H20ClN3O6S
MW: 538.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.0
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass537.0761342
Monoisotopic Mass537.0761342
Topological Polar Surface Area136 Ų
Heavy Atom Count37
Formal Charge0
Complexity962
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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