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Chemical structure of PF-04634817 succinate

GC39501

PF-04634817 succinate

Also known as butanedioic acid;[(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 succinate 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)

ChemicalCAS2140301-98-8MW629.67FormulaC29H42F3N5O7
CAS number
2140301-98-8
Molecular weight
629.67
Formula
C29H42F3N5O7
Solubility
Soluble in DMSO
InChIKey
WRPPUEHVLSHXJG-HTQYHTRRSA-N
Catalogue number
GC39501
Brand
GLPBIO
Computed properties PubChem CID 121596583 · TPSA 154 Ų · H-bond donors 3 · H-bond acceptors 14
TPSA
154 Ų
H-bond donors
3
H-bond acceptors
14
Rotatable bonds
9
Heavy atoms
44

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.C(CC(=O)O)C(=O)O

Computed descriptors from PubChem (CID 121596583), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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