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AS-35

CAT: 0804-HY-101946-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101946-01Size:1 mg
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Description
AS-35 is an orally effective, potent and selective antagonist of leukotrienes, antagonizes LTC4-, LTD4 and LTE4-induced contractions of the ileum with IC50 values of 8 nM, 4 nM and 3 nM, respectively, and has antiallergic activities.
CAS Number
108427-72-1
UNSPSC
12352005
Target
Leukotriene Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/AS-35.html
Solubility
10 mM in DMSO
Smiles
O=C1C(C2=NN=NN2)=CN=C3N1C=CC=C3COC4=CC=C(C(C)=O)C(O)=C4CCC
Molecular Formula
C21H20N6O4
Molecular Weight
420.42
References & Citations
[1]Kasai H, et al. Peptide leukotriene antagonistic activity of AS-35, a new antiallergic drug. Jpn J Pharmacol. 1992 Apr;58 (4) :347-55.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
LTC4/CysLT2; LTD4/CysLT1; LTE4

Chemical Information

AS 35

a leukotriene receptor antagonist

CAS Number108427-72-1
PubChem CID130135
IUPAC Name9-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
Molecular FormulaC21H20N6O4
Molecular Weight420.4
XLogP2
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity851
SMILES
CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=CN3C2=NC=C(C3=O)C4=NNN=N4
InChI
InChI=1S/C21H20N6O4/c1-3-5-15-17(8-7-14(12(2)28)18(15)29)31-11-13-6-4-9-27-20(13)22-10-16(21(27)30)19-23-25-26-24-19/h4,6-10,29H,3,5,11H2,1-2H3,(H,23,24,25,26)
InChIKey
RVRGDCZGEKSIRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AS 35
CAS: 108427-72-1
CID: 130135
Formula: C21H20N6O4
MW: 420.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.4
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass420.15460314
Monoisotopic Mass420.15460314
Topological Polar Surface Area134 Ų
Heavy Atom Count31
Formal Charge0
Complexity851
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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