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Andolast (free base) (Standard)

CAT: 0804-HY-106358R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-106358R-01Size:5 mg
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Description
Andolast (free base) (Standard) is the analytical standard of Andolast (free base) . This product is intended for research and analytical applications. Andolast (CR 2039) (free base) is an anti-allergic agent. Andolast can inhibit cAMP-phosphodiesterase with an IC50 value of 50 μM. Andolast can be used for the research of asthma[1].
CAS Number
132640-22-3
Product Name Alternative
CR 2039 (free base) (Standard) ; Dizolast (free base) (Standard)
UNSPSC
12352005
Target
Phosphodiesterase (PDE) ; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Inflammation/Immunology
Smiles
O=C(C1=CC=C(C2=NN=NN2)C=C1)NC3=CC=C(C4=NN=NN4)C=C3
Molecular Formula
C15H11N9O
Molecular Weight
333.31
References & Citations
[1]Revel L, Colombo S, Ferrari F, Folco G, Rovati LC, Makovec F. CR 2039, a new bis- (1H-tetrazol-5-yl) phenylbenzamide derivative with potential for the topical treatment of asthma. Eur J Pharmacol. 1992;229 (1) :45-53. |[2]Czuczwar SJ, Gasior M, Kozicka M, Pietrasiewicz T, Turski WA, Kleinrok Z. A potential anti-asthmatic drug, CR 2039, enhances the anticonvulsive activity of some antiepileptic drugs against pentetrazol in mice. Eur Neuropsychopharmacol. 1998;8 (3) :233-238.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Andolast

Andolast is a small molecule drug. Andolast has a monoisotopic molecular weight of 333.11 Da.

CAS Number132640-22-3
PubChem CID65970
IUPAC Name4-(2H-tetrazol-5-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
Molecular FormulaC15H11N9O
Molecular Weight333.31
XLogP1.2
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity448
SMILES
C1=CC(=CC=C1C2=NNN=N2)C(=O)NC3=CC=C(C=C3)C4=NNN=N4
InChI
InChI=1S/C15H11N9O/c25-15(11-3-1-9(2-4-11)13-17-21-22-18-13)16-12-7-5-10(6-8-12)14-19-23-24-20-14/h1-8H,(H,16,25)(H,17,18,21,22)(H,19,20,23,24)
InChIKey
VXEBMQZDPONDFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Andolast
CAS: 132640-22-3
CID: 65970
Formula: C15H11N9O
MW: 333.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.31
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass333.10865601
Monoisotopic Mass333.10865601
Topological Polar Surface Area138 Ų
Heavy Atom Count25
Formal Charge0
Complexity448
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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