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Chemical structure of MLN120B dihydrochloride

GC66019

MLN120B dihydrochloride

Also known as N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide;dihydrochloride

MLN120B dihydrochloride (ML120B dihydrochloride) is a potent, ATP competitive, and orally active inhibitor of IKKβ with an IC50 of 60 nM· MLN120B inhibits multiple myeloma cell growth in vitro and in vivo and also can be used for the research of rheumatoid arthritis

ChemicalCAS1782573-78-7MW439.72FormulaC19H17Cl3N4O2
CAS number
1782573-78-7
Molecular weight
439.72
Formula
C19H17Cl3N4O2
Solubility
DMSO ： 16·67 mg/mL (37·91 mM; ultrasonic and warming and adjust pH to 8 with NaOH and heat to 80°C)
InChIKey
AWKOVWFBTRXQLW-UHFFFAOYSA-N
Catalogue number
GC66019
Brand
GLPBIO
Computed properties PubChem CID 90488985 · TPSA 79.9 Ų · H-bond donors 4 · H-bond acceptors 4
TPSA
79.9 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28

SMILES CC1=C(C=CC=N1)C(=O)NC2=C3C(=CC(=C2OC)Cl)C4=C(N3)C=NC=C4.Cl.Cl

Computed descriptors from PubChem (CID 90488985), 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
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