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MCHR1 antagonist 1

CAT: 0931-T10173-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T10173-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
391610-37-0
Target
Melanin-concentrating Hormone Receptor (MCHR), GPCR
Related Pathways
GPCR/G Protein, Endocrinology/Hormones
Bioactivity
MCHR1 antagonist 1 is a selective antagonist of the melanin-concentrating hormone-1 (MCH1) receptor with a Kb of 1 nM and a Ki of 4 nM at the human MCH1 receptor.
Smiles
C(OC)(=O)C=1C(N(C(NCCCN2CCC(CC2)C3=CC=CC=N3)=O)C(=O)NC1COC)C4=CC(F)=C(F)C=C4
Molecular Formula
C28H33F2N5O5
Molecular Weight
557.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MCHr1 antagonist 1
CAS Number391610-37-0
PubChem CID10196547
IUPAC Namemethyl 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3-[3-(4-pyridin-2-ylpiperidin-1-yl)propylcarbamoyl]-1,4-dihydropyrimidine-5-carboxylate
Molecular FormulaC28H33F2N5O5
Molecular Weight557.6
XLogP2.4
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count40
Formal Charge0
Complexity929
SMILES
COCC1=C(C(N(C(=O)N1)C(=O)NCCCN2CCC(CC2)C3=CC=CC=N3)C4=CC(=C(C=C4)F)F)C(=O)OC
InChI
InChI=1S/C28H33F2N5O5/c1-39-17-23-24(26(36)40-2)25(19-7-8-20(29)21(30)16-19)35(28(38)33-23)27(37)32-12-5-13-34-14-9-18(10-15-34)22-6-3-4-11-31-22/h3-4,6-8,11,16,18,25H,5,9-10,12-15,17H2,1-2H3,(H,32,37)(H,33,38)
InChIKey
FFXFCSQUTLDLAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MCHr1 antagonist 1
CAS: 391610-37-0
CID: 10196547
Formula: C28H33F2N5O5
MW: 557.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight557.6
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass557.24497549
Monoisotopic Mass557.24497549
Topological Polar Surface Area113 Ų
Heavy Atom Count40
Formal Charge0
Complexity929
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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