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GE1111

CAT: 0931-T205668-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T205668-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2883669-12-1
Target
MRGPR
Related Pathways
GPCR/G Protein
Bioactivity
GE1111 is an antagonist of the mas-related G protein-coupled receptor X2 (MRGPRX2), exhibiting an IC50 of 9.42 μM. It inhibits mast cell degranulation with an IC50 of 4.7 μM. In the C48/80-induced systemic allergic reaction model, GE1111 demonstrates both antiallergic and anti-inflammatory properties.
Smiles
O=CC1=CC=2C=C(C=C3C=CC(O)=C(C32)C1C)C4=CC=5C=CC(=CC5C=C4C(=O)OC)NC(=O)N
Molecular Formula
C28H22N2O5
Molecular Weight
466.485
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

methyl 7-(carbamoylamino)-3-(5-formyl-7-hydroxy-6-methyl-6H-phenalen-2-yl)naphthalene-2-carboxylate
CAS Number2883669-12-1
PubChem CID166501098
IUPAC Namemethyl 7-(carbamoylamino)-3-(5-formyl-7-hydroxy-6-methyl-6H-phenalen-2-yl)naphthalene-2-carboxylate
Molecular FormulaC28H22N2O5
Molecular Weight466.5
XLogP4.4
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity873
SMILES
CC1C(=CC2=C3C1=C(C=CC3=CC(=C2)C4=C(C=C5C=C(C=CC5=C4)NC(=O)N)C(=O)OC)O)C=O
InChI
InChI=1S/C28H22N2O5/c1-14-20(13-31)9-19-8-18(7-16-4-6-24(32)25(14)26(16)19)22-11-15-3-5-21(30-28(29)34)10-17(15)12-23(22)27(33)35-2/h3-14,32H,1-2H3,(H3,29,30,34)
InChIKey
IMTTVPWLOQWCDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of methyl 7-(carbamoylamino)-3-(5-formyl-7-hydroxy-6-methyl-6H-phenalen-2-yl)naphthalene-2-carboxylate
CAS: 2883669-12-1
CID: 166501098
Formula: C28H22N2O5
MW: 466.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.5
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass466.15287181
Monoisotopic Mass466.15287181
Topological Polar Surface Area119 Ų
Heavy Atom Count35
Formal Charge0
Complexity873
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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