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Chemical structure of MLN3126

GC65990

MLN3126

Also known as N-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide

MLN3126 is an orally active and potent CCR9 antagonist· MLN3126 inhibits CCL25-induced calcium mobilization and chemotaxis of mouse primary thymocytes, wiht an IC50 value of 6·3 nM for calcium influx

ChemicalCAS628300-71-0MW446.9FormulaC21H19ClN2O5S
CAS number
628300-71-0
Molecular weight
446.9
Formula
C21H19ClN2O5S
Solubility
DMSO : 25 mg/mL (55·94 mM; ultrasonic and warming and heat to 60°C)
InChIKey
YSCNTJOPTXIIJO-UHFFFAOYSA-N
Catalogue number
GC65990
Brand
GLPBIO
Computed properties PubChem CID 58119034 · XLogP 3.7 · TPSA 106 Ų · H-bond donors 1
XLogP
3.7
TPSA
106 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
30

SMILES CC(C)OC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=[N+](C=C3)[O-]

Computed descriptors from PubChem (CID 58119034), 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.