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BMS-193885

CAT: 0931-T14671-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T14671-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
186185-03-5
Target
Neuropeptide Y Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.9973
Bioactivity
BMS-193885 is a selective, brain-penetrant, and competitive antagonist of the neuropeptide Y1 receptor with a Ki of 3.3 nM, and an IC50 of 5.9 nM for hY1.
Smiles
COC(=O)C1=C(C)NC(C)=C(C1c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(OC)c2)c1)C(=O)OC
Molecular Formula
C33H42N4O6
Molecular Weight
590.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bms-193885

a neuropeptide YY1 receptor antagonist; structure in first source

CAS Number186185-03-5
PubChem CID9960164
IUPAC Namedimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC33H42N4O6
Molecular Weight590.7
XLogP4.2
Topological Polar Surface Area118
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count43
Formal Charge0
Complexity1010
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NC(=O)NCCCN3CCC(CC3)C4=CC(=CC=C4)OC)C(=O)OC
InChI
InChI=1S/C33H42N4O6/c1-21-28(31(38)42-4)30(29(22(2)35-21)32(39)43-5)25-10-6-11-26(19-25)36-33(40)34-15-8-16-37-17-13-23(14-18-37)24-9-7-12-27(20-24)41-3/h6-7,9-12,19-20,23,30,35H,8,13-18H2,1-5H3,(H2,34,36,40)
InChIKey
WMYSXJSJXZFODY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-193885
CAS: 186185-03-5
CID: 9960164
Formula: C33H42N4O6
MW: 590.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.7
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass590.31043507
Monoisotopic Mass590.31043507
Topological Polar Surface Area118 Ų
Heavy Atom Count43
Formal Charge0
Complexity1010
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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Alternative Products

CatalogName
B7327-50BMS 193885
MBS3615247-01BMS-193885
A18740-5BMS-193885 5mg
A18740-10BMS-193885 10mg
A18740-1BMS-193885 1mg
A18740-100BMS-193885 100mg

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