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PAR4 antagonist 5

CAT: 0804-HY-163504Size: 1 EachDry Ice: NoHazardous: No
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Description
PAR4 antagonist 5 (compound 1) is a PAR4 antagonist with an IC50 less than 20 μM and potent anti-platelet aggregation activity. PAR4 antagonist 5 can be used for research of thrombosis disease [1].
CAS Number
3024653-17-3
UNSPSC
12352005
Target
Protease Activated Receptor (PAR)
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/par4-antagonist-5.html
Solubility
10 mM in DMSO
Smiles
COC1=CC2=C(N=C(C3=C4N=NC(OC)=CC4=CC(C)=C3)S2)C(Cl)=C1
Molecular Formula
C18H14ClN3O2S
Molecular Weight
371.84
References & Citations
[1]Zhu X, et al. Preparation of cinnoline derivatives as PAR4 antagonists for prevention and/or treatment of thromboembolic disorders, China, CN117285527 A, 2023-12-26
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PAR4

Chemical Information

PAR4 antagonist 5
CAS Number3024653-17-3
PubChem CID171391460
IUPAC Name4-chloro-6-methoxy-2-(3-methoxy-6-methylcinnolin-8-yl)-1,3-benzothiazole
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.8
XLogP4.6
Topological Polar Surface Area85.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity474
SMILES
CC1=CC2=CC(=NN=C2C(=C1)C3=NC4=C(S3)C=C(C=C4Cl)OC)OC
InChI
InChI=1S/C18H14ClN3O2S/c1-9-4-10-6-15(24-3)21-22-16(10)12(5-9)18-20-17-13(19)7-11(23-2)8-14(17)25-18/h4-8H,1-3H3
InChIKey
ZAFHORJBQGECAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PAR4 antagonist 5
CAS: 3024653-17-3
CID: 171391460
Formula: C18H14ClN3O2S
MW: 371.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.8
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass371.0495256
Monoisotopic Mass371.0495256
Topological Polar Surface Area85.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity474
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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