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PKRA83

CAT: 0013-GTR19185206-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185206-02Size:50 mg
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Description
PKRA83 is a brain-penetrant, potent small molecule antagonist of prokineticin receptors PKR1 (IC50: 5.0 nM) and PKR2 (IC50: 8.2 nM) . It competitively inhibits PK2 signaling and has demonstrated anti-cancer and anti-angiogenic properties in research models, supporting its use in oncology and neurobiology studies both in vitro and in vivo.
CAS Number
1233926-87-8
Smiles
ClC1=C2C (=CC (CN (C (=O) [C@H]3CN (CC4=CC (OC) =C (F) C=C4) CC3) CC (C) C) =C1) OCCCO2
Molecular Formula
C27H34ClFN2O4
Molecular Weight
505.02
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 66726148
CAS Number1233926-87-8
PubChem CID66726148
IUPAC Name(3R)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide
Molecular FormulaC27H34ClFN2O4
Molecular Weight505.0
XLogP5
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity686
SMILES
CC(C)CN(CC1=CC2=C(C(=C1)Cl)OCCCO2)C(=O)[C@@H]3CCN(C3)CC4=CC(=C(C=C4)F)OC
InChI
InChI=1S/C27H34ClFN2O4/c1-18(2)14-31(16-20-11-22(28)26-25(13-20)34-9-4-10-35-26)27(32)21-7-8-30(17-21)15-19-5-6-23(29)24(12-19)33-3/h5-6,11-13,18,21H,4,7-10,14-17H2,1-3H3/t21-/m1/s1
InChIKey
GZHUKRDKTDCKQD-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of CID 66726148
CAS: 1233926-87-8
CID: 66726148
Formula: C27H34ClFN2O4
MW: 505.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.0
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass504.2191134
Monoisotopic Mass504.2191134
Topological Polar Surface Area51.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity686
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

Alternative Products

CatalogName
MBS5806116PKRA83
T212408-01PKRA83 hydrochloride
HY-147056BPKRA83 (hydrochloride)
MBS5823097PKRA83 hydrochloride hydrate
HY-147056APKRA83 (hydrochloride hydrate)

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