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MLN-120B

CAS No.:
783348-36-7
Catalog Number:
AG00G3P5
Molecular Formula:
C19H15ClN4O2
Molecular Weight:
366.8010
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$223
- +
10mg
99%
1 week
United States
$357
- +
50mg
99%
1 week
United States
$1257
- +
Product Description
Catalog Number:
AG00G3P5
Chemical Name:
MLN-120B
CAS Number:
783348-36-7
Molecular Formula:
C19H15ClN4O2
Molecular Weight:
366.8010
MDL Number:
MFCD17392835
IUPAC Name:
N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
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)
InChI Key:
ZNOLRTPMNMPLHY-UHFFFAOYSA-N
SMILES:
COc1c(Cl)cc2c(c1NC(=O)c1cccnc1C)[nH]c1c2ccnc1
Properties
Complexity:
522  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.088g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
366.805g/mol
Monoisotopic Mass:
366.088g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Comprehensive analysis of kinase inhibitor selectivity. Nature biotechnology 20111030
Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry. Chemistry & biology 20101124
Activation of NF-kappaB signaling by inhibitor of NF-kappaB kinase beta increases aggressiveness of ovarian cancer. Cancer research 20100515
Inhibition of IKK-beta: a new development in the mechanism of the anti-obesity effects of PTP1B inhibitors SA18 and SA32. Bioorganic & medicinal chemistry letters 20100201
Nitric oxide inhibits IFN regulatory factor 1 and nuclear factor-kappaB pathways in rhinovirus-infected epithelial cells. The Journal of allergy and clinical immunology 20090901
Repression of inflammatory gene expression in human pulmonary epithelial cells by small-molecule IkappaB kinase inhibitors. The Journal of pharmacology and experimental therapeutics 20070501
Use of molecular imaging to quantify response to IKK-2 inhibitor treatment in murine arthritis. Arthritis and rheumatism 20070101
IKKbeta inhibition protects against bone and cartilage destruction in a rat model of rheumatoid arthritis. Arthritis and rheumatism 20061001
Validation of the anti-inflammatory properties of small-molecule IkappaB Kinase (IKK)-2 inhibitors by comparison with adenoviral-mediated delivery of dominant-negative IKK1 and IKK2 in human airways smooth muscle. Molecular pharmacology 20060801
Rapid TNFR1-dependent lymphocyte depletion in vivo with a selective chemical inhibitor of IKKbeta. Blood 20060601
A selective small molecule IkappaB Kinase beta inhibitor blocks nuclear factor kappaB-mediated inflammatory responses in human fibroblast-like synoviocytes, chondrocytes, and mast cells. The Journal of pharmacology and experimental therapeutics 20060601
Properties