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SDZ-MKS 492

CAT: 0804-HY-100164-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100164-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SDZ-MKS 492 (MKS 492) is a selective inhibitor of cyclic GMP-inhibited phosphodiesterase (type III PDE) . SDZ-MKS 492 inhibits antigen- or platelet activating factor (PAF) -induced bronchoconstriction and allergic reactions in guinea pigs and rats[1].
CAS Number
114606-56-3
Product Name Alternative
MKS 492
UNSPSC
12352005
Target
Phosphodiesterase (PDE)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/sdz-mks-492.html
Purity
99.77
Solubility
DMSO : ≥ 50 mg/mL
Smiles
O=C(N1C)N(C)C2=C(N(CCOC)C(N[C@H](C3=CC=C(OC)C(OC)=C3)CO)=N2)C1=O
Molecular Formula
C20H27N5O6
Molecular Weight
433.46
References & Citations
[1]Nagai H, et al. Effects of MKS-492 on antigen-induced bronchoconstriction and allergic reaction in guinea pigs and rats. Jpn J Pharmacol. 1993 Dec;63 (4) :405-13.|[2]Morley J, et, al. SDZ MKS 492. Agents Actions Suppl. 1991;34:403-10.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

Sdz mks 492
CAS Number114606-56-3
PubChem CID163931
IUPAC Name8-[[(1R)-1-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
Molecular FormulaC20H27N5O6
Molecular Weight433.5
XLogP0.5
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity639
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N[C@@H](CO)C3=CC(=C(C=C3)OC)OC)CCOC
InChI
InChI=1S/C20H27N5O6/c1-23-17-16(18(27)24(2)20(23)28)25(8-9-29-3)19(22-17)21-13(11-26)12-6-7-14(30-4)15(10-12)31-5/h6-7,10,13,26H,8-9,11H2,1-5H3,(H,21,22)/t13-/m0/s1
InChIKey
VZLFAVFWNOZVFM-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Sdz mks 492
CAS: 114606-56-3
CID: 163931
Formula: C20H27N5O6
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass433.19613360
Monoisotopic Mass433.19613360
Topological Polar Surface Area118 Ų
Heavy Atom Count31
Formal Charge0
Complexity639
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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