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PK14105

CAT: 0013-GTR19203253-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19203253-02Size:1 ml x 10 mM (in DMSO)
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Description
PK14105 is a PET radioligand targeting peripheral benzodiazepine binding sites (PBBS) . It readily crosses the blood-brain barrier and shows selective retention in lesioned brain regions in rat models, as demonstrated in vivo. This compound also exhibits inhibitory activity on various receptor and transporter systems in salivary gland tissues.
CAS Number
107257-28-3
Smiles
CCC (C) N (C) C (=O) c1cc2ccccc2c (n1) -c1cc (ccc1F) [N+] ([O-]) =O
Molecular Formula
C21H20FN3O3
Molecular Weight
381.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PK-14105

structure given in first source

CAS Number107257-28-3
PubChem CID122277
IUPAC NameN-butan-2-yl-1-(2-fluoro-5-nitrophenyl)-N-methylisoquinoline-3-carboxamide
Molecular FormulaC21H20FN3O3
Molecular Weight381.4
XLogP4.8
Topological Polar Surface Area79
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity570
SMILES
CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=C(C=CC(=C3)[N+](=O)[O-])F
InChI
InChI=1S/C21H20FN3O3/c1-4-13(2)24(3)21(26)19-11-14-7-5-6-8-16(14)20(23-19)17-12-15(25(27)28)9-10-18(17)22/h5-13H,4H2,1-3H3
InChIKey
GXXKDYZSBGOJQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PK-14105
CAS: 107257-28-3
CID: 122277
Formula: C21H20FN3O3
MW: 381.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.4
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass381.14886967
Monoisotopic Mass381.14886967
Topological Polar Surface Area79 Ų
Heavy Atom Count28
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HEA25728-01PK14105
A12212-2PK14105 2mg
A12212-50PK14105 50mg
A12212-25PK14105 25mg
A12212-10PK14105 10mg
A12212-100PK14105 100mg
A12212-5PK14105 5mg
A12212-10mM-DPK14105 10mM * 1mL in DMSO

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