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CE-224535

CAT: 1410-M26643-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M26643-04Size:25 mg
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Description
CE-224535 is a selective antagonist of P2X7 receptor. CE-224535 can be used in disease-modifying antirheumatic studies.
CAS Number
724424-43-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
480.95
Molecular Formula
C22H29ClN4O6
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Ce-224535

CE-224535 has been used in trials studying the treatment of Osteoarthritis.

CAS Number724424-43-5
PubChem CID11547499
IUPAC Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-[(2R)-2-hydroxy-3-methoxypropyl]-3,5-dioxo-1,2,4-triazin-2-yl]benzamide
Molecular FormulaC22H29ClN4O6
Molecular Weight480.9
XLogP1.6
Topological Polar Surface Area132
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity742
SMILES
COC[C@@H](CN1C(=O)C=NN(C1=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCCC3)O)O
InChI
InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m1/s1
InChIKey
FUCKCIVGBCBZNP-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of Ce-224535
CAS: 724424-43-5
CID: 11547499
Formula: C22H29ClN4O6
MW: 480.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.9
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass480.1775624
Monoisotopic Mass480.1775624
Topological Polar Surface Area132 Ų
Heavy Atom Count33
Formal Charge0
Complexity742
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA6857-10CE-224535
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