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MCHR1 antagonist 4

CAT: 0931-T88994-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T88994-01Size:25 mg
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CAS Number
1574538-43-4
Bioactivity
MCHR1antagonist 4 (Compound 2m) is an MCHR1 antagonist capable of penetrating the blood-brain barrier, with Ki values of 0.74 nM and 0.76 nM for hMCHR1 and rMCHR1, respectively. Additionally, it serves as an effective anti-obesity agent.
Smiles
O=C1C(OC2=CC=C(C=C2)C3CC3)=CCN1C4=CC=C(OCCN5CCCC5)C(OC)=C4
Molecular Formula
C26H30N2O4
Molecular Weight
434.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MCHR1 antagonist 4
CAS Number1574538-43-4
PubChem CID89996843
IUPAC Name4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
Molecular FormulaC26H30N2O4
Molecular Weight434.5
XLogP4.5
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity665
SMILES
COC1=C(C=CC(=C1)N2CC=C(C2=O)OC3=CC=C(C=C3)C4CC4)OCCN5CCCC5
InChI
InChI=1S/C26H30N2O4/c1-30-25-18-21(8-11-23(25)31-17-16-27-13-2-3-14-27)28-15-12-24(26(28)29)32-22-9-6-20(7-10-22)19-4-5-19/h6-12,18-19H,2-5,13-17H2,1H3
InChIKey
NDQYSDBXPKTXCY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MCHR1 antagonist 4
CAS: 1574538-43-4
CID: 89996843
Formula: C26H30N2O4
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass434.22055744
Monoisotopic Mass434.22055744
Topological Polar Surface Area51.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity665
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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