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Chemical structure of MRS 5698

GC50162

MRS 5698

Also known as (1S,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-[2-(3,4-difluorophenyl)ethynyl]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide

High affinity and selective A3 agonist

ChemicalCAS1377273-00-1MW564.97FormulaC28H23ClF2N6O3
CAS number
1377273-00-1
Molecular weight
564.97
Formula
C28H23ClF2N6O3
Solubility
Soluble in DMSO
InChIKey
LYLLLJJYBWLGHW-CIZVZKTGSA-N
Catalogue number
GC50162
Brand
GLPBIO
Computed properties PubChem CID 57523213 · XLogP 3.3 · TPSA 125 Ų · H-bond donors 4
XLogP
3.3
TPSA
125 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
40

SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=C(N=C43)C#CC5=CC(=C(C=C5)F)F)NCC6=CC(=CC=C6)Cl

Computed descriptors from PubChem (CID 57523213), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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