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AP-C3

CAT: 0931-T82991-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T82991-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
682795-78-4
Target
Others, PKA
Related Pathways
Others, Tyrosine Kinase/Adaptors
Bioactivity
AP-C3 is a potent inhibitor of guanosine 3′,5′-cyclic monophosphate (cGMP) -dependent protein kinase II (cGKII), with a pIC50 value of 6.3, and demonstrates only weak inhibition of cGKII-dependent anion secretion [1].
Smiles
N=1C=CC(=NC1NCCC2=CC=C(OC)C(OC)=C2)C=3C=CC=4OCCOC4C3
Molecular Formula
C22H23N3O4
Molecular Weight
393.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrimidinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]amine
CAS Number682795-78-4
PubChem CID169450561
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-2-amine
Molecular FormulaC22H23N3O4
Molecular Weight393.4
XLogP3.8
Topological Polar Surface Area74.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity497
SMILES
COC1=C(C=C(C=C1)CCNC2=NC=CC(=N2)C3=CC4=C(C=C3)OCCO4)OC
InChI
InChI=1S/C22H23N3O4/c1-26-18-5-3-15(13-20(18)27-2)7-9-23-22-24-10-8-17(25-22)16-4-6-19-21(14-16)29-12-11-28-19/h3-6,8,10,13-14H,7,9,11-12H2,1-2H3,(H,23,24,25)
InChIKey
KKIRYPZBFWFILJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrimidinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]amine
CAS: 682795-78-4
CID: 169450561
Formula: C22H23N3O4
MW: 393.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight393.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass393.16885622
Monoisotopic Mass393.16885622
Topological Polar Surface Area74.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity497
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