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Chemical structure of (R,R)-CXCR2-IN-2

GC62588

(R,R)-CXCR2-IN-2

Also known as 1-[4-chloro-2-hydroxy-3-[(3R)-3-methyloxolan-3-yl]sulfonylphenyl]-3-[(1R)-2-methylcyclopent-2-en-1-yl]urea

(R,R)-CXCR2-IN-2, diastereoisomer of CXCR2-IN-2 (compound 68), is a brain penetrant CXCR2 antagonist with a pIC50 of 9 and 6·8 in the Tango assay and d in the HWB Gro-α induced CD11b expression assay, respectively

ChemicalCAS1838123-22-0MW414.9FormulaC18H23ClN2O5S
CAS number
1838123-22-0
Molecular weight
414.9
Formula
C18H23ClN2O5S
Solubility
DMSO ： 220 mg/mL (530·25 mM; Need ultrasonic)
InChIKey
DNXKACKCTLURQN-FZKQIMNGSA-N
Catalogue number
GC62588
Brand
GLPBIO
Computed properties PubChem CID 118540525 · XLogP 2.2 · TPSA 113 Ų · H-bond donors 3
XLogP
2.2
TPSA
113 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27

SMILES CC1=CCC[C@H]1NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)[C@@]3(CCOC3)C)O

Computed descriptors from PubChem (CID 118540525), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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