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Piclamilast

CAT: 0607-B5630-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B5630-10Size:10 mg
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Description
PDE4 inhibitor
CAS Number
144035-83-6
Product Name Alternative
3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide
Field of Research
Metabolism PDE
Purity
0.98
Form
White solid
Solubility
<38.12mg/ml in DMSO
Smiles
ClC1=C(C(Cl)=CN=C1)NC(C2=CC=C(C(OC3CCCC3)=C2)OC)=O
Molecular Formula
C18H18Cl2N2O3
Molecular Weight
381.25
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

Piclamilast

Piclamilast is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3-(cyclopentyloxy)-4-methoxybenzoic acid with the primary amino group of 3,5-dichloropyridin-4-amine. It has a role as a bronchodilator agent, an anti-asthmatic drug, an anti-inflammatory agent and a phosphodiesterase IV inhibitor. It is a member of benzamides, a monocarboxylic acid amide, an aromatic ether and a chloropyridine.

CAS Number144035-83-6
PubChem CID154575
IUPAC Name3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.2
XLogP4.2
Topological Polar Surface Area60.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity438
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3
InChI
InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
InChIKey
RRRUXBQSQLKHEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Piclamilast
CAS: 144035-83-6
CID: 154575
Formula: C18H18Cl2N2O3
MW: 381.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight381.2
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass380.0694478
Monoisotopic Mass380.0694478
Topological Polar Surface Area60.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity438
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