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PD176252

CAT: 0931-T16449-04Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T16449-04Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
204067-01-6
Target
Bombesin Receptor
Related Pathways
GPCR/G Protein
Purity
0.9918
Bioactivity
PD176252 is a potent BB1 and BB2 antagonist with inhibitory effects on BB1 and BB2 receptors.PD176252 acts as a small molecule GRPR inhibitor and FPR1/FPR2 agonist to inhibit the growth and proliferation of a variety of cancer cells.
Smiles
COc1ccc(nc1)C1(CNC(=O)[C@](C)(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(cc2)[N+]([O-])=O)CCCCC1
Molecular Formula
C32H36N6O5
Molecular Weight
584.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PD 176252

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

CAS Number204067-01-6
PubChem CID9829828
IUPAC Name(2S)-3-(1H-indol-3-yl)-N-[[1-(5-methoxy-2-pyridinyl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide
Molecular FormulaC32H36N6O5
Molecular Weight584.7
XLogP5.2
Topological Polar Surface Area154
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count43
Formal Charge0
Complexity962
SMILES
C[C@](CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=NC=C(C=C4)OC)NC(=O)NC5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C32H36N6O5/c1-31(18-22-19-33-27-9-5-4-8-26(22)27,37-30(40)36-23-10-12-24(13-11-23)38(41)42)29(39)35-21-32(16-6-3-7-17-32)28-15-14-25(43-2)20-34-28/h4-5,8-15,19-20,33H,3,6-7,16-18,21H2,1-2H3,(H,35,39)(H2,36,37,40)/t31-/m0/s1
InChIKey
NNFUWNLENRUDHR-HKBQPEDESA-N
Chemical Structure
2D Structure
2D structure of PD 176252
CAS: 204067-01-6
CID: 9829828
Formula: C32H36N6O5
MW: 584.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.7
XLogP35.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass584.27471827
Monoisotopic Mass584.27471827
Topological Polar Surface Area154 Ų
Heavy Atom Count43
Formal Charge0
Complexity962
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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Alternative Products

CatalogName
MBS5769737PD176252
A19385-100PD176252 100mg
A19385-50PD176252 50mg
A19385-25PD176252 25mg
A19385-10PD176252 10mg
A19385-5PD176252 5mg
A19385-2PD176252 2mg
A19385-1PD176252 1mg
A19385-10mM-DPD176252 10mM * 1mL in DMSO

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