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MK-0249

CAT: 0931-T12054-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T12054-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
862309-06-6
Target
Histamine Receptor
Related Pathways
Immunology/Inflammation, GPCR/G Protein, Neuroscience
Purity
0.999
Bioactivity
MK-0249 is an orally active, selective and potent histamine H3 receptor antagonist (IC50: 1.7 nM) for the study of attention-deficit and hyperactivity disorders.
Smiles
Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Molecular Formula
C23H24F3N3O2
Molecular Weight
431.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mk-0249

MK0249 has been used in trials studying the treatment of Hypopnea Syndrome, Alzheimer's Disease, Paranoid Schizophrenia, Sleep Apnea, Obstructive, and Excessive Daytime Sleepiness, among others.

CAS Number862309-06-6
PubChem CID11697697
IUPAC Name2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one
Molecular FormulaC23H24F3N3O2
Molecular Weight431.4
XLogP4.2
Topological Polar Surface Area45.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity655
SMILES
CC1=NC2=CC=CC(=C2C(=O)N1C3=CC=C(C=C3)OCCCN4CCCC4)C(F)(F)F
InChI
InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
InChIKey
DDDZBLNULGDPGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mk-0249
CAS: 862309-06-6
CID: 11697697
Formula: C23H24F3N3O2
MW: 431.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.4
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass431.18206150
Monoisotopic Mass431.18206150
Topological Polar Surface Area45.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity655
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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GTR19205393-01MK-0249
BUP01327-01MK-0249 FA
M33026-01MK-0249 B
BUP01628-01NT-0249
HY-161297A-01NT-0249 (free base)
GTR19262828-01NT-0249 free base
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