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PD-149164

CAT: 0013-GTR19196783-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196783-02Size:100 mg
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Description
PD-149164 is a selective cholecystokinin A receptor (CCK-AR) agonist. This small molecule is utilized in research to investigate gastrointestinal physiology, pancreatic secretion, and satiety signaling in both in vitro receptor studies and in vivo animal models.
CAS Number
181941-32-2
Field of Research
Pharmacology & Drug Discovery
Smiles
O (C (N[C@] (CC=1C=2C (NC1) =CC=CC2) (C (N[C@@H] (CC3=CC=C (F) C=C3) CC (O) =O) =O) C) =O) C4C5CC6CC4CC (C5) C6
Molecular Formula
C33H38FN3O5
Molecular Weight
575.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid
CAS Number181941-32-2
PubChem CID9916170
IUPAC Name(3S)-3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid
Molecular FormulaC33H38FN3O5
Molecular Weight575.7
XLogP5.6
Topological Polar Surface Area121
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count42
Formal Charge0
Complexity974
SMILES
C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)N[C@@H](CC3=CC=C(C=C3)F)CC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6
InChI
InChI=1S/C33H38FN3O5/c1-33(17-24-18-35-28-5-3-2-4-27(24)28,31(40)36-26(16-29(38)39)15-19-6-8-25(34)9-7-19)37-32(41)42-30-22-11-20-10-21(13-22)14-23(30)12-20/h2-9,18,20-23,26,30,35H,10-17H2,1H3,(H,36,40)(H,37,41)(H,38,39)/t20?,21?,22?,23?,26-,30?,33+/m0/s1
InChIKey
UZOOGOCMUARFDV-FPRYDEEZSA-N
Chemical Structure
2D Structure
2D structure of (3S)-3-[[(2R)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-fluorophenyl)butanoic acid
CAS: 181941-32-2
CID: 9916170
Formula: C33H38FN3O5
MW: 575.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight575.7
XLogP35.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass575.27954948
Monoisotopic Mass575.27954948
Topological Polar Surface Area121 Ų
Heavy Atom Count42
Formal Charge0
Complexity974
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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