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PD 165929

CAT: 0013-GTR19196786-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196786-02Size:50 mg
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Description
PD 165929 is a potent and selective small molecule antagonist of the bombesin receptor subtype 1 (BB1) . It is a valuable research tool for investigating BB1 receptor function in neuropharmacology and oncology, facilitating both in vitro binding assays and in vivo physiological studies.
CAS Number
185215-75-2
Field of Research
Pharmacology & Drug Discovery
Smiles
C (NC ([C@] (CC=1C=2C (NC1) =CC=CC2) (NC (NC3=C (C (C) C) C=CC=C3C (C) C) =O) C) =O) C4 (CCCCC4) C5=CC=CC=N5
Molecular Formula
C37H47N5O2
Molecular Weight
593.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PD 165929

a non-peptide gastrin-releasing peptide (BB2) receptor antagonist; structure in first source

CAS Number185215-75-2
PubChem CID5311352
IUPAC Name(2S)-2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide
Molecular FormulaC37H47N5O2
Molecular Weight593.8
XLogP7.7
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count44
Formal Charge0
Complexity932
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)N[C@@](C)(CC2=CNC3=CC=CC=C32)C(=O)NCC4(CCCCC4)C5=CC=CC=N5
InChI
InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1
InChIKey
RVCSRPVACXMJEL-BHVANESWSA-N
Chemical Structure
2D Structure
2D structure of PD 165929
CAS: 185215-75-2
CID: 5311352
Formula: C37H47N5O2
MW: 593.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight593.8
XLogP37.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass593.37297576
Monoisotopic Mass593.37297576
Topological Polar Surface Area98.9 Ų
Heavy Atom Count44
Formal Charge0
Complexity932
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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