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Chemical structure of AZD8797

GC31653

AZD8797

Also known as (2R)-2-[[2-amino-5-[(1S)-1-phenylethyl]sulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol

AZD8797 (KAND567) is an allosteric non-competitive and orally active antagonist of the human CX3CR1 receptor; antagonizes CX3CR1 and CXCR2 with Kis of 3·9 and 2800 nM, respectively

ChemicalCAS911715-90-7MW403.56FormulaC19H25N5OS2
CAS number
911715-90-7
Molecular weight
403.56
Formula
C19H25N5OS2
Solubility
DMSO ： ≥ 150 mg/mL (371·69 mM)
InChIKey
ZMQSLMZOWVGBSM-GXTWGEPZSA-N
Catalogue number
GC31653
Brand
GLPBIO
Computed properties PubChem CID 11965767 · XLogP 4.8 · TPSA 150 Ų · H-bond donors 3
XLogP
4.8
TPSA
150 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
27

SMILES C[C@@H](C1=CC=CC=C1)SC2=NC3=C(C(=N2)N[C@H](CC(C)C)CO)SC(=N3)N

Computed descriptors from PubChem (CID 11965767), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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