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MSC-4381

CAT: 0013-GTR19190432-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190432-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MSC-4381 (MCT4-IN-1) is a potent, selective, and orally bioavailable inhibitor of the monocarboxylate transporter 4 (MCT4/SLC16A3) . It is a research tool for investigating cancer metabolism, with applications in in vitro and in vivo studies of osteosarcoma and other hypoxic tumors.
CAS Number
2445185-57-7
Product Name Alternative
MSC 4381, MSC4381, MCT4, MCT-4-IN-1, MCT4-IN-1, MCT4 IN 1, MCT4IN1, Monocarboxylate transporter, Monocarboxylatetransporter
Field of Research
Pharmacology & Drug Discovery
Purity
99.04% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:2.5 mg/mL (4.65 mM) ; DMSO:50 mg/mL (92.94 mM)
Smiles
CCOc1ccc (c2ncccc12) S (=O) (=O) Nc1ccc (Cl) cc1C#Cc1cnc (cc1OC) C (O) =O
Molecular Formula
C26H20ClN3O6S
Molecular Weight
537.97
Storage Conditions
-20°C
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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