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D-159404

CAT: 0931-T201976-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T201976-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1158221-32-9
Bioactivity
D-159404, as an allosteric inhibitor, demonstrates superior inhibitory effects on the full-length PDE 4D3 compared to its truncated form and exhibits higher cellular activity. This sets it apart from competitive inhibitors like roflumilast and cilomilast. These findings indicate that D-159404 and related compounds may offer valuable insights into PDE 4 pharmacology and serve as strong candidates for further study on cAMP signaling's impact on disease treatment.
Smiles
O=C(N)NC1=CC=C(C=C1)CC=2C=CC(OC)=C(C3=CC=CC(Cl)=C3)C2F
Molecular Formula
C21H18ClFN2O2
Molecular Weight
384.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[4-(3'-Chloro-2-fluoro-6-methoxy-biphenyl-3-ylmethyl)-phenyl]-urea
CAS Number1158221-32-9
PubChem CID46213059
IUPAC Name[4-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]phenyl]urea
Molecular FormulaC21H18ClFN2O2
Molecular Weight384.8
XLogP4.8
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity487
SMILES
COC1=C(C(=C(C=C1)CC2=CC=C(C=C2)NC(=O)N)F)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C21H18ClFN2O2/c1-27-18-10-7-15(11-13-5-8-17(9-6-13)25-21(24)26)20(23)19(18)14-3-2-4-16(22)12-14/h2-10,12H,11H2,1H3,(H3,24,25,26)
InChIKey
YHCWLRRVAOFFFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-(3'-Chloro-2-fluoro-6-methoxy-biphenyl-3-ylmethyl)-phenyl]-urea
CAS: 1158221-32-9
CID: 46213059
Formula: C21H18ClFN2O2
MW: 384.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.8
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass384.1040837
Monoisotopic Mass384.1040837
Topological Polar Surface Area64.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity487
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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