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YM976

CAT: 0804-HY-108617-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-108617-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
YM976 is a phosphodiesterase 4 (PDE4) inhibitor with an IC50 of 2.2 nM. YM976 shows the dissociation of anti-inflammatory activities from emetic effects and inhibits the antigen-induced airway responses[1].
CAS Number
191219-80-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
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/ym976.html
Purity
99.0
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
O=C1N(CC)C2=NC(CC)=CC=C2C(C3=CC=CC(Cl)=C3)=N1
Molecular Formula
C17H16ClN3O
Molecular Weight
313.79
Precautions
H302, H315, H319, H335
References & Citations
[1]Hiroshi Moriuchi, et al. Relaxant effect of YM976, a novel phosphodiesterase 4 inhibitor, on bovine tracheal smooth muscle. Eur J Pharmacol. 2003 May 30;470 (1-2) :57-64.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

YM-976

4-(3-chlorophenyl)-1,7-diethyl-2-pyrido[2,3-d]pyrimidinone is a member of pyrimidines.

CAS Number191219-80-4
PubChem CID6604918
IUPAC Name4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one
Molecular FormulaC17H16ClN3O
Molecular Weight313.8
XLogP4
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity453
SMILES
CCC1=NC2=C(C=C1)C(=NC(=O)N2CC)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H16ClN3O/c1-3-13-8-9-14-15(11-6-5-7-12(18)10-11)20-17(22)21(4-2)16(14)19-13/h5-10H,3-4H2,1-2H3
InChIKey
MNHXYNNKDDXKNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of YM-976
CAS: 191219-80-4
CID: 6604918
Formula: C17H16ClN3O
MW: 313.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.8
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass313.0981898
Monoisotopic Mass313.0981898
Topological Polar Surface Area45.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity453
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
532993YM976

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