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MLN120B

CAT: 0607-A3628-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-A3628-5Size:5 mg
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Description
IκB Kinase β Inhibitor
CAS Number
783348-36-7
Product Name Alternative
N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
Sequence
ML120B;MLN 120B;MLN-120B
Field of Research
Immunology Inflammation IκB IKK
Purity
0.9982
Form
A solid
Solubility
insoluble in H2O; ≥13.2 mg/mL in DMSO; ≥8.53 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
CC1=C(C=CC=N1)C(=O)NC2=C3C(=CC(=C2OC)Cl)C4=C(N3)C=NC=C4
Molecular Formula
C19H15ClN4O2
Molecular Weight
366.8
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
FM65090-01MLN120B
HY-15473A-01MLN120B (dihydrochloride)
A15171-1MLN120B 1mg
532254MLN120B HCl
A15171-50MLN120B 50mg
A15171-25MLN120B 25mg
A15171-5MLN120B 5mg
A15171-2MLN120B 2mg
A15171-100MLN120B 100mg
A15171-10MLN120B 10mg

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