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AY77

CAT: 0804-HY-138951-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138951-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AY77 is a calcium-biased PAR2 agonist. AY77 shows an EC50 of 0.17 and 2 nM in PAR2-mediated the activation in the Gq pathway and recruitment of β-arrestin-2, respectively. AY77 potently induces intracellular Ca2+ release[1][2].
CAS Number
1835734-92-3
UNSPSC
12352209
Target
Protease Activated Receptor (PAR)
Type
Peptides
Related Pathways
GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/ay77.html
Solubility
10 mM in DMSO
Smiles
O=C(N)[C@H](C1CCCCC1)NC([C@H](CC2CCCCC2)NC(C3=CC=NO3)=O)=O
Molecular Formula
C21H32N4O4
Molecular Weight
404.50
References & Citations
[1]Klösel I, et al. Discovery of Novel Nonpeptidic PAR2 Ligands. ACS Med Chem Lett. 2020 May 22;11 (6) :1316-1323.|[2]Jiang Y, et al. Biased Signaling by Agonists of Protease Activated Receptor 2. ACS Chem Biol. 2017 May 19;12 (5) :1217-1226.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported
Isoform
PAR2

Chemical Information

CID 137654325
CAS Number1835734-92-3
PubChem CID137654325
IUPAC NameN-[(2S)-1-[[(1S)-2-amino-1-cyclohexyl-2-oxoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular FormulaC21H32N4O4
Molecular Weight404.5
XLogP3.8
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity573
SMILES
C1CCC(CC1)C[C@@H](C(=O)N[C@@H](C2CCCCC2)C(=O)N)NC(=O)C3=CC=NO3
InChI
InChI=1S/C21H32N4O4/c22-19(26)18(15-9-5-2-6-10-15)25-20(27)16(13-14-7-3-1-4-8-14)24-21(28)17-11-12-23-29-17/h11-12,14-16,18H,1-10,13H2,(H2,22,26)(H,24,28)(H,25,27)/t16-,18-/m0/s1
InChIKey
CAYJNBJPGBBDAS-WMZOPIPTSA-N
Chemical Structure
2D Structure
2D structure of CID 137654325
CAS: 1835734-92-3
CID: 137654325
Formula: C21H32N4O4
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass404.24235551
Monoisotopic Mass404.24235551
Topological Polar Surface Area127 Ų
Heavy Atom Count29
Formal Charge0
Complexity573
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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