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BMS-814580

CAT: 0931-T26860-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26860-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1197420-11-3
Target
Melanin-concentrating Hormone Receptor (MCHR), GPCR
Related Pathways
Endocrinology/Hormones, GPCR/G Protein
Bioactivity
BMS-814580 is a potent and selective functional antagonist (Kb = 117 nM) of human MCHR1. BMS-814580 exhibits potent binding affinity (Ki = 17 nM) for human MCHR1. BMS-814580 also exhibits potent binding affinities for cynomolgus monkey and rat MCHR1 (Ki of 4.9 and 11.5 nM, respectively) . MCHR1 antagonist demonstrates reduction in feeding and body weight in rats and mice.
Smiles
O=C1C2=C(C=C(S2)C3=CC=C(Cl)C=C3)N=CN1C4=CC(OC)=C(OCC5(O)CC(F)(F)C5)C=C4
Molecular Formula
C24H19ClF2N2O4S
Molecular Weight
504.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-(4-chlorophenyl)-3-(4-((3,3-difluoro-1-hydroxycyclobutyl)methoxy)-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4(3H)-one
CAS Number1197420-11-3
PubChem CID57988809
IUPAC Name6-(4-chlorophenyl)-3-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-one
Molecular FormulaC24H19ClF2N2O4S
Molecular Weight504.9
XLogP5.1
Topological Polar Surface Area99.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity789
SMILES
COC1=C(C=CC(=C1)N2C=NC3=C(C2=O)SC(=C3)C4=CC=C(C=C4)Cl)OCC5(CC(C5)(F)F)O
InChI
InChI=1S/C24H19ClF2N2O4S/c1-32-19-8-16(6-7-18(19)33-12-23(31)10-24(26,27)11-23)29-13-28-17-9-20(34-21(17)22(29)30)14-2-4-15(25)5-3-14/h2-9,13,31H,10-12H2,1H3
InChIKey
NCXJWNAKIMMZOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(4-chlorophenyl)-3-(4-((3,3-difluoro-1-hydroxycyclobutyl)methoxy)-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4(3H)-one
CAS: 1197420-11-3
CID: 57988809
Formula: C24H19ClF2N2O4S
MW: 504.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.9
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass504.0722123
Monoisotopic Mass504.0722123
Topological Polar Surface Area99.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity789
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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