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Chemical structure of PF-04634817

GC36880

PF-04634817

Also known as [(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[(1S,4S)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone

PF-0463481 is a potent and orally active dual CCR2/CCR5 antagonist with comparable human and rodent CCR2 potency (rat IC50=20·8 nM), and displays 10-20 fold less rodent CCR5 potency (rat IC50=470 nM)

ChemicalCAS1228111-63-4MW511.58FormulaC25H36F3N5O3
CAS number
1228111-63-4
Molecular weight
511.58
Formula
C25H36F3N5O3
Solubility
DMSO： 50 mg/mL (97·74 mM)
InChIKey
MCRWZBYTLVCCJJ-DKALBXGISA-N
Catalogue number
GC36880
Brand
GLPBIO
Computed properties PubChem CID 46198579 · XLogP 2.7 · TPSA 79.8 Ų · H-bond donors 1
XLogP
2.7
TPSA
79.8 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
36

SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@H]2CCOC[C@H]2OC)C(=O)N3C[C@@H]4C[C@H]3CN4C5=NC=NC(=C5)C(F)(F)F

Computed descriptors from PubChem (CID 46198579), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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