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SR146131

CAT: 1410-M13535-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M13535-02Size:10 mg
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Description
SR146131 (SR-146131) a small molecule positive allosteric modulator of the type 1 cholecystokinin receptor (CCK1R) with pEC50 of 10.34.
CAS Number
221671-61-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
610.166
Molecular Formula
C32H36ClN3O5S
Notes
Research use only, not for human use.
Receptor
Cholecystokinin Receptor

Chemical Information

SR-146131

a cholecystokinin subtype 1 receptor agonist; structure in first source

CAS Number221671-61-0
PubChem CID9852833
IUPAC Name2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethylindol-1-yl]acetic acid
Molecular FormulaC32H36ClN3O5S
Molecular Weight610.2
XLogP8.6
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity925
SMILES
CC1=CC(=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)C
InChI
InChI=1S/C32H36ClN3O5S/c1-18-12-19(2)30-21(13-18)14-24(36(30)17-28(37)38)31(39)35-32-34-29(22-15-26(41-4)23(33)16-25(22)40-3)27(42-32)11-10-20-8-6-5-7-9-20/h12-16,20H,5-11,17H2,1-4H3,(H,37,38)(H,34,35,39)
InChIKey
NFDFTMICKVDYLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SR-146131
CAS: 221671-61-0
CID: 9852833
Formula: C32H36ClN3O5S
MW: 610.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight610.2
XLogP38.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass609.2064201
Monoisotopic Mass609.2064201
Topological Polar Surface Area131 Ų
Heavy Atom Count42
Formal Charge0
Complexity925
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

Alternative Products

CatalogName
MBS3603534-01SR146131

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