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AP-C4

CAT: 0013-GTR19217795-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217795-01Size:5 mg
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Description
AP-C4 is a selective cGKII inhibitor with a pIC50 of 5.2, while AP-C3 is inactive in cGKII-mediated anion secretion assays. This tool compound is used in vitro and in vivo to study cGKII's roles in intestinal secretion and bone growth pathways.
CAS Number
682794-85-0
Field of Research
Signal Transduction
Smiles
N=1C=CC (=NC1NCCC2=CNC=3C=CC=CC32) C=4C=CC=5OCCOC5C4
Molecular Formula
C22H20N4O2
Molecular Weight
372.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine
CAS Number682794-85-0
PubChem CID169450562
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine
Molecular FormulaC22H20N4O2
Molecular Weight372.4
XLogP4
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity507
SMILES
C1COC2=C(O1)C=CC(=C2)C3=NC(=NC=C3)NCCC4=CNC5=CC=CC=C54
InChI
InChI=1S/C22H20N4O2/c1-2-4-19-17(3-1)16(14-25-19)7-9-23-22-24-10-8-18(26-22)15-5-6-20-21(13-15)28-12-11-27-20/h1-6,8,10,13-14,25H,7,9,11-12H2,(H,23,24,26)
InChIKey
KSKZEYZWDRZQFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine
CAS: 682794-85-0
CID: 169450562
Formula: C22H20N4O2
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass372.15862589
Monoisotopic Mass372.15862589
Topological Polar Surface Area72.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity507
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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