ML-120B

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H15ClN4O2
Molecular Weight	366.801
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(NC(=O)C2=CC=CN=C2C)C3=C(C=C1Cl)C4=C(N3)C=NC=C4

InChI

InChIKey=ZNOLRTPMNMPLHY-UHFFFAOYSA-N

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)

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Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/16439676 | https://www.ncbi.nlm.nih.gov/pubmed/20809973

MLN120B is a potent and selective inhibitor of IKK-beta, which competes with ATP at the ATP-binding site. MLN120B has been shown to be a promising treatment in preclinical models of rheumatoid arthritis, non-Hodgkin's lymphoma and multiple myeloma.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Inhibitor of nuclear factor kappa B kinase beta subunit 16 Target ID: CHEMBL1991 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16439676	Inhibitor 8504		0.06 µM [IC50]

Conditions

Condition	Modality	Highest Phase	Product
Rheumatoid arthritis 320 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17009244 https://www.ncbi.nlm.nih.gov/pubmed/16439676 https://www.ncbi.nlm.nih.gov/pubmed/17195214	Primary	Preclinical	Unknown Approved Use Unknown
Multiple myeloma 159 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17020997	Primary	Preclinical	Unknown Approved Use Unknown
Non-Hodgkin's lymphoma 81 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20809973	Primary	Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
IKKbeta inhibition protects against bone and cartilage destruction in a rat model of rheumatoid arthritis.	2006-10	17009244
Rapid TNFR1-dependent lymphocyte depletion in vivo with a selective chemical inhibitor of IKKbeta.	2006-06-01	16439676
A selective small molecule IkappaB Kinase beta inhibitor blocks nuclear factor kappaB-mediated inflammatory responses in human fibroblast-like synoviocytes, chondrocytes, and mast cells.	2006-06	16525037

Patents

Sample Use Guides

In Vivo Use Guide

Rat model of rheumatoid arthritis: median effective dosage is 12 mg/kg given twice daily. Mouse model of non-Hodgkin's lymphoma: MLN120B is given orally either as a single dose of 120 mg/kg on day 7 (× 1), or 60 mg/kg twice daily on day 7 (× 2), or 60 mg/kg twice daily for 28 days starting on day 7 (× 28). Mouse model of multiple myeloma: 50 mg/kg MLN120B is given orally, twice daily for 3 weeks.

Route of Administration: Oral

In Vitro Use Guide

Mice bone marrow cells were preincubated with MLN120B for 1 hour at doses 0.1 uM, 0.5 uM, 1 uM, 5 uM, 10 uM, 50 uM, 100 uM and then stimulated with LPS (1 ug/ml). After 4 hours, IL-6 and RANTES levels were evaluated and IC50 value was measured to be 1 uM.

Name

Type

Language

MLN-120B

Preferred Name

English

ML-120B

Code

English

3-PYRIDINECARBOXAMIDE, N-(6-CHLORO-7-METHOXY-9H-PYRIDO(3,4-B)INDOL-8-YL)-2-METHYL-

Systematic Name

English

MLN120B

Code

English

N-(6-CHLORO-7-METHOXY-9H-PYRIDO(3,4-B)INDOL-8-YL)-2-METHYLPYRIDINE-3-CARBOXAMIDE

Systematic Name

English

ML120B

Code

English

Code System Code Type Description

FDA UNII

GD8S432HM5