PAR4 antagonist 1

CAT: 0804-HY-163341Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0804-HY-163341Size:1 Each

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Description

PAR4 antagonist 1 (Compound 48) is a protease activated receptor 4 (PAR4) antagonist with an IC50 of 1.8 nM. PAR4 antagonist 1 has an IC50 of 2 nM against γ-thrombin-activated PAR4 in platelet-rich plasma (PRP) . PAR4 antagonist 1 can be used in antithrombotic research[1].

CAS Number

2173201-65-3

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-1.html

Solubility

10 mM in DMSO

Smiles

COC1=NC2=CC(C)=CC(C3=NC4=C(C5=C(C(F)=C4)O[C@H](C5)COC(NC6=CN=C(N=C6)C)=O)S3)=C2N=C1

Molecular Formula

C26H21FN6O4S

Molecular Weight

532.55

References & Citations

[1]Zhang X, et al. Discovery of Potent and Selective Quinoxaline-Based Protease-Activated Receptor 4 (PAR4) Antagonists for the Prevention of Arterial Thrombosis. J Med Chem. 2024 Feb 22.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

PAR4

Chemical Information

PAR4 antagonist 1

CAS Number	2173201-65-3
PubChem CID	134175211
IUPAC Name	[(7R)-5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpyrimidin-5-yl)carbamate
Molecular Formula	C26H21FN6O4S
Molecular Weight	532.5
XLogP	4.1
Topological Polar Surface Area	149
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Heavy Atom Count	38
Formal Charge	0
Complexity	840

SMILES

CC1=CC(=C2C(=C1)N=C(C=N2)OC)C3=NC4=CC(=C5C(=C4S3)C[C@@H](O5)COC(=O)NC6=CN=C(N=C6)C)F

InChI

InChI=1S/C26H21FN6O4S/c1-12-4-16(22-19(5-12)32-21(35-3)10-30-22)25-33-20-7-18(27)23-17(24(20)38-25)6-15(37-23)11-36-26(34)31-14-8-28-13(2)29-9-14/h4-5,7-10,15H,6,11H2,1-3H3,(H,31,34)/t15-/m1/s1

InChIKey

SGYYQMJPGDIKMA-OAHLLOKOSA-N

Chemical Structure

2D Structure

CAS: 2173201-65-3

CID: 134175211

Formula: C26H21FN6O4S

MW: 532.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	532.5
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Exact Mass	532.13290251
Monoisotopic Mass	532.13290251
Topological Polar Surface Area	149 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	840
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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