Products for Research Use Only

PQA-18

CAT: 0013-GTR19239533-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19239533-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
PQA-18 is a potent and selective PAK2 inhibitor (IC50 = 10 nM) with demonstrated immunosuppressive activity. It suppresses IL-2 production in T-cells in vitro and shows efficacy in vivo by ameliorating atopic dermatitis in mice and improving graft survival in rat transplantation models.
CAS Number
1604678-82-1
Field of Research
Cell Biology, Immunology & Inflammation, Signal Transduction
Smiles
O=C (OCC=C (C) C) C=1N=C2C (OCC=C (C) C) =CC=CC2=C (OCC=C (C) C) C1
Molecular Formula
C25H31NO4
Molecular Weight
409.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Methylbut-2-enyl 4,8-bis(3-methylbut-2-enoxy)quinoline-2-carboxylate
CAS Number1604678-82-1
PubChem CID73602831
IUPAC Name3-methylbut-2-enyl 4,8-bis(3-methylbut-2-enoxy)quinoline-2-carboxylate
Molecular FormulaC25H31NO4
Molecular Weight409.5
XLogP6.8
Topological Polar Surface Area57.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity640
SMILES
CC(=CCOC1=CC=CC2=C1N=C(C=C2OCC=C(C)C)C(=O)OCC=C(C)C)C
InChI
InChI=1S/C25H31NO4/c1-17(2)10-13-28-22-9-7-8-20-23(29-14-11-18(3)4)16-21(26-24(20)22)25(27)30-15-12-19(5)6/h7-12,16H,13-15H2,1-6H3
InChIKey
APPXFGJVXDYNBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylbut-2-enyl 4,8-bis(3-methylbut-2-enoxy)quinoline-2-carboxylate
CAS: 1604678-82-1
CID: 73602831
Formula: C25H31NO4
MW: 409.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight409.5
XLogP36.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass409.22530847
Monoisotopic Mass409.22530847
Topological Polar Surface Area57.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity640
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