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V11294A

CAT: 0013-GTR19209619-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209619-03Size:100 mg
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Description
V11294A is a novel PDE4 inhibitor. A single 300 mg oral dose in healthy volunteers achieves plasma concentrations sufficient to suppress inflammatory cell activation ex vivo for over 24 hours, with no reported adverse effects. This profile supports its research use in studying PDE4-mediated pathways in inflammation, applicable in both in vitro cellular assays and in vivo pharmacokinetic models.
CAS Number
162278-10-6
Smiles
C (N1C=2C (=C (NCC) N=C1) N=C (C (C) C) N2) C3=CC (OC4CCCC4) =C (OC) C=C3
Molecular Formula
C23H31N5O2
Molecular Weight
409.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-{[3-(cyclopentyloxy)-4-methoxyphenyl]methyl}-N-ethyl-8-(propan-2-yl)-3H-purin-6-amine
CAS Number162278-10-6
PubChem CID135430158
IUPAC Name3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethyl-8-propan-2-yl-7H-purin-6-imine
Molecular FormulaC23H31N5O2
Molecular Weight409.5
XLogP4
Topological Polar Surface Area75.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity619
SMILES
CCN=C1C2=C(N=C(N2)C(C)C)N(C=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4
InChI
InChI=1S/C23H31N5O2/c1-5-24-22-20-23(27-21(26-20)15(2)3)28(14-25-22)13-16-10-11-18(29-4)19(12-16)30-17-8-6-7-9-17/h10-12,14-15,17H,5-9,13H2,1-4H3,(H,26,27)
InChIKey
KLPQJJKXRIDASJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-{[3-(cyclopentyloxy)-4-methoxyphenyl]methyl}-N-ethyl-8-(propan-2-yl)-3H-purin-6-amine
CAS: 162278-10-6
CID: 135430158
Formula: C23H31N5O2
MW: 409.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass409.24777525
Monoisotopic Mass409.24777525
Topological Polar Surface Area75.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity619
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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CatalogName
T70362-01V11294A

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