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Chemical structure of Aplaviroc hydrochloride

GC62610

Aplaviroc hydrochloride

Also known as 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid;hydrochloride

Aplaviroc (AK 602) hydrochloride, a SDP derivative, is a CCR5 antagonist, with IC50s of 0·1-0·4 nM for HIV-1Ba-L, HIV-1JRFL and HIV-1MOKW

ChemicalCAS461023-63-2MW614.17FormulaC33H44ClN3O6
CAS number
461023-63-2
Molecular weight
614.17
Formula
C33H44ClN3O6
Solubility
DMSO : 500 mg/mL (814·11 mM; Need ultrasonic)
InChIKey
QNNBMSGFNQRUEH-PQQSRXGVSA-N
Catalogue number
GC62610
Brand
GLPBIO
Computed properties PubChem CID 6918686 · TPSA 119 Ų · H-bond donors 4 · H-bond acceptors 7
TPSA
119 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
43

SMILES CCCCN1C(=O)[C@H](NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)[C@@H](C5CCCCC5)O.Cl

Computed descriptors from PubChem (CID 6918686), 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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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.