ML 120B dihydrochloride | ML120B dihydrochloride | CAS 1782573-78-7 | AnyMole

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HIT212709159

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HIT212709159

HIT ID:HIT212709159
Cas No:1782573-78-7
常用名:ML 120B dihydrochloride
别名:ML120B dihydrochloride
IUPAC:N-{6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl}-2-methylpyridine-3-carboxamide dihydrochloride
IUPAC:N-{6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl}-2-methylpyridine-3-carboxamide dihydrochloride
InChI key:AWKOVWFBTRXQLW-UHFFFAOYSA-N

分子式:C19H17Cl3N4O2
分子量:439.72
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:2.3251693
SMILES:Cl.Cl.COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
SMILES:Cl.Cl.COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

MLN120B dihydrochloride (ML120B dihydrochloride) is a highly potent, orally active inhibitor of IKKβ. It competitively binds to ATP and exhibits an impressive IC50 value of 60 nM. This compound effectively suppresses the growth of multiple myeloma cells both in vitro and in vivo. Furthermore, MLN120B dihydrochloride is valuable in the field of rheumatoid arthritis research.

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