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PD 168368

CAT: 1410-M37589-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M37589-02Size:2 mg
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Description
PD 168368 is a novel, potent, competitive and selective nonpeptide neuromodulin B receptor (NMB-R) antagonist with inhibitory effects on the gastrin-releasing peptide receptor (GRPR) .PD 168368 is a potent mixed agonist of FPR1/FPR2/FPR3.
CAS Number
204066-82-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
554.64
Molecular Formula
C31H34N6O4
Notes
Research use only, not for human use.
Receptor
Bombesin Receptor

Chemical Information

PD 168368

a neuromedin B receptor antagonist; structure in first source

CAS Number204066-82-0
PubChem CID9937534
IUPAC Name(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide
Molecular FormulaC31H34N6O4
Molecular Weight554.6
XLogP5.2
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity913
SMILES
C[C@](CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=CC=N4)NC(=O)NC5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C31H34N6O4/c1-30(19-22-20-33-26-10-4-3-9-25(22)26,36-29(39)35-23-12-14-24(15-13-23)37(40)41)28(38)34-21-31(16-6-2-7-17-31)27-11-5-8-18-32-27/h3-5,8-15,18,20,33H,2,6-7,16-17,19,21H2,1H3,(H,34,38)(H2,35,36,39)/t30-/m0/s1
InChIKey
AFDXUTWMFMAQJO-PMERELPUSA-N
Chemical Structure
2D Structure
2D structure of PD 168368
CAS: 204066-82-0
CID: 9937534
Formula: C31H34N6O4
MW: 554.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.6
XLogP35.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass554.26415359
Monoisotopic Mass554.26415359
Topological Polar Surface Area145 Ų
Heavy Atom Count41
Formal Charge0
Complexity913
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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GTR19274947-01PD 168368 derivative-1

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