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Cilomilast

CAT: 1568-C07810-02Size: 50 mgDry Ice: YesHazardous: No
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CAT#:1568-C07810-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
153259-65-5
Synonyms
SB-207499
SKU
C07810-50mg
Target
PDE
Applications
Metabolism
Smiles
COC1=C (C=C (C=C1) C2 (CCC (CC2) C (=O) O) C#N) OC3CCCC3
Molecular Formula
C20H25NO4
Additionnal Information
Cilomilast (SB-207499) is a potent PDE4 inhibitor with IC50 of about 110 nM, has anti-inflammatory activity and low central nervous system activity. Phase 3.
Storage Conditions
2 years -80 in solvent

Chemical Information

Cilomilast

4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexanecarboxylic acid is a member of methoxybenzenes.

CAS Number153259-65-5
PubChem CID151170
IUPAC Name4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
Molecular FormulaC20H25NO4
Molecular Weight343.4
XLogP3.4
Topological Polar Surface Area79.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity511
SMILES
COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#N)OC3CCCC3
InChI
InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)
InChIKey
CFBUZOUXXHZCFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cilomilast
CAS: 153259-65-5
CID: 151170
Formula: C20H25NO4
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass343.17835828
Monoisotopic Mass343.17835828
Topological Polar Surface Area79.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity511
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

Alternative Products

CatalogName
T6445-01Cilomilast

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