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EP-3945

CAT: 0931-T205219-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205219-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3057176-00-5
Target
MRGPR
Related Pathways
GPCR/G Protein
Bioactivity
EP-3945 is an agonist of Mas-related G protein-coupled receptors (MRGPR), exhibiting greater potency than the small molecule agonist β-Alanine targeting MRGPRD. MRGPRs play a crucial role in inflammatory itch and pain perception. These receptors interact with Gq (MRGPRX2, MRGPRX4, and MRGPRX1 are coupled with Gq; MRGPRX2 and MRGPRD couple with Gi), with EP-3945 having an EC50 value of 211.6 nM for Gq.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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