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MLN120B

CAT: 1410-M22796-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M22796-01Size:2 mg
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Description
MLN120B is a selective and ATP competitive IKKβ inhibitor (IC50: 60 nM) .MLN120B almost completely blocks the stimulation of MM.1S, U266, and INA6 cell growth, as well as IL-6 secretion from BMSCs, induced by multiple myeloma cell adherence to BMSCs [1]. MLN120B shows an inhibitory effect on LPS induced NF-κB activation in RAW267.4 cells.
CAS Number
783348-36-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
366.8
Molecular Formula
C19H15ClN4O2
Notes
Research use only, not for human use.
Receptor
IKKβ

Chemical Information

N-(6-chloro-7-methoxy-9H-beta-carbolin-8-yl)-2-methylnicotinamide

a potent and selective small molecule inhibitor of IKKbeta

CAS Number783348-36-7
PubChem CID9929127
IUPAC NameN-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
Molecular FormulaC19H15ClN4O2
Molecular Weight366.8
XLogP3.1
Topological Polar Surface Area79.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity522
SMILES
CC1=C(C=CC=N1)C(=O)NC2=C3C(=CC(=C2OC)Cl)C4=C(N3)C=NC=C4
InChI
InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
InChIKey
ZNOLRTPMNMPLHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(6-chloro-7-methoxy-9H-beta-carbolin-8-yl)-2-methylnicotinamide
CAS: 783348-36-7
CID: 9929127
Formula: C19H15ClN4O2
MW: 366.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight366.8
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass366.0883534
Monoisotopic Mass366.0883534
Topological Polar Surface Area79.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity522
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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