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PF 04418948

CAT: 0607-B5726-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B5726-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EP2 receptor antagonist
CAS Number
1078166-57-0
Product Name Alternative
1-(4-fluorobenzoyl)-3-(((6-methoxynaphthalen-2-yl)oxy)methyl)azetidine-3-carboxylic acid
Field of Research
GPCR G protein Prostanoid Receptors
Purity
0.9805
Form
A solid
Solubility
insoluble in EtOH; insoluble in H2O; insoluble in DMSO
Smiles
FC1=CC=C(C=C1)C(N2CC(COC3=CC=C4C(C=CC(OC)=C4)=C3)(C(O)=O)C2)=O
Molecular Formula
C23H20FNO5
Molecular Weight
409.41
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Pf-04418948

Pf 04418948 is under investigation in clinical trial NCT01002963 (A Study To Investigate The Safety And Toleration Of A Single Dose Of PF-04418948 In Healthy Volunteers).

CAS Number1078166-57-0
PubChem CID25114442
IUPAC Name1-(4-fluorobenzoyl)-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxylic acid
Molecular FormulaC23H20FNO5
Molecular Weight409.4
XLogP3.5
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity629
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)OCC3(CN(C3)C(=O)C4=CC=C(C=C4)F)C(=O)O
InChI
InChI=1S/C23H20FNO5/c1-29-19-8-4-17-11-20(9-5-16(17)10-19)30-14-23(22(27)28)12-25(13-23)21(26)15-2-6-18(24)7-3-15/h2-11H,12-14H2,1H3,(H,27,28)
InChIKey
LWJGMYMNSNVCEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pf-04418948
CAS: 1078166-57-0
CID: 25114442
Formula: C23H20FNO5
MW: 409.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass409.13255090
Monoisotopic Mass409.13255090
Topological Polar Surface Area76.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity629
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

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Alternative Products

CatalogName
B1168-5PF-04418948
4818/50PF 04418948
A12894-10PF-04418948 10mg
A12894-2PF-04418948 2mg
A12894-50PF-04418948 50mg
A12894-1PF-04418948 1mg
A12894-100PF-04418948 100mg
A12894-25PF-04418948 25mg

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