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I-287

CAT: 0013-GTR19231015-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231015-02Size:50 mg
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Description
I-287 is a selective, orally bioavailable PAR2 negative allosteric modulator that inhibits Gαq and Gα12/13 signaling. It has demonstrated efficacy in reducing inflammatory pain in murine CFA models, supporting its use as a research tool for studying inflammation, immune responses, and protease-activated receptor pathways in both in vitro and in vivo settings.
CAS Number
2014368-93-3
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
C (C) (C) (C) C1=C2C (=NC (=C1) C3=CC (F) =C (Cl) C=C3) C=C (C (=O) N4C (C) (C) CN (CC4) C5=CC=C (C (O) =O) C=N5) O2
Molecular Formula
C30H30ClFN4O4
Molecular Weight
565.04
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 134296695
CAS Number2014368-93-3
PubChem CID134296695
IUPAC Name6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-3-carboxylic acid
Molecular FormulaC30H30ClFN4O4
Molecular Weight565.0
XLogP6.2
Topological Polar Surface Area99.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count40
Formal Charge0
Complexity947
SMILES
CC1(CN(CCN1C(=O)C2=CC3=C(O2)C(=CC(=N3)C4=CC(=C(C=C4)Cl)F)C(C)(C)C)C5=NC=C(C=C5)C(=O)O)C
InChI
InChI=1S/C30H30ClFN4O4/c1-29(2,3)19-13-22(17-6-8-20(31)21(32)12-17)34-23-14-24(40-26(19)23)27(37)36-11-10-35(16-30(36,4)5)25-9-7-18(15-33-25)28(38)39/h6-9,12-15H,10-11,16H2,1-5H3,(H,38,39)
InChIKey
WPJYZCYPCSYODL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 134296695
CAS: 2014368-93-3
CID: 134296695
Formula: C30H30ClFN4O4
MW: 565.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight565.0
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass564.1939613
Monoisotopic Mass564.1939613
Topological Polar Surface Area99.8 Ų
Heavy Atom Count40
Formal Charge0
Complexity947
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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