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EP-3945

CAT: 0013-GTR19249547-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249547-01Size:10 mg
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Description
EP-3945 is a potent small molecule agonist of Mas-related G protein-coupled receptors (MRGPRs), particularly MRGPRD, with an EC50 of 211.6 nM for Gq signaling. This compound is a valuable research tool for studying the role of MRGPRs in inflammatory itch and pain pathways, applicable in both in vitro and in vivo experimental models.
CAS Number
3057176-00-5
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C1N=C (NC=2C=CC=CC12) NC3CCN (C (=O) C4 (C5=CC=C (OC) C=C5) CC4) CC3
Molecular Formula
C24H26N4O3
Molecular Weight
418.488
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-4-yl]amino]-3H-quinazolin-4-one
CAS Number3057176-00-5
PubChem CID172155861
IUPAC Name2-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-4-yl]amino]-3H-quinazolin-4-one
Molecular FormulaC24H26N4O3
Molecular Weight418.5
XLogP2.5
Topological Polar Surface Area83
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity718
SMILES
COC1=CC=C(C=C1)C2(CC2)C(=O)N3CCC(CC3)NC4=NC5=CC=CC=C5C(=O)N4
InChI
InChI=1S/C24H26N4O3/c1-31-18-8-6-16(7-9-18)24(12-13-24)22(30)28-14-10-17(11-15-28)25-23-26-20-5-3-2-4-19(20)21(29)27-23/h2-9,17H,10-15H2,1H3,(H2,25,26,27,29)
InChIKey
WAIAGNMCIITGRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-4-yl]amino]-3H-quinazolin-4-one
CAS: 3057176-00-5
CID: 172155861
Formula: C24H26N4O3
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass418.20049070
Monoisotopic Mass418.20049070
Topological Polar Surface Area83 Ų
Heavy Atom Count31
Formal Charge0
Complexity718
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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