Panobinostat Lactate
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;2-hydroxypropanoic acid
Molecular Identity
Panobinostat Lactate
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;2-hydroxypropanoic acid
PubChem CID: 23725423
Panobinostat lactate is a lactate salt having panobinostat(1+) as the counterion. A histone deacetylase inhibitor used in combination with bortezomib and dexamethasone for the treatment of multiple myeloma. It has a role as an antineoplastic agent, an angiogenesis modulating agent and an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a lactate salt and an organoammonium salt. It contains a panobinostat(1+).
2D Structure
Properties
C24H29N3O5
Molecular Formula
439.50
Molecular Weight
g/mol
439.2107
Exact Mass
Da
135
TPSA
Good oral absorption (< 140 A²)
6
H-Bond Donors
6
H-Bond Acceptors
533
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NO.CC(C(=O)O)OIsomeric SMILES
SMILES: CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO.CC(C(=O)O)OSynonyms(20)
Panobinostat lactate960055-56-5UNII-HN0T99OO4VHN0T99OO4Vpanobinostat lactate anhydrousCHEBI:85991(2E)-N-Hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino(methyl)phenyl)prop-2-enamide mono((2RS)-2-hydroxypropanoate)2-hydroxypropanoic acid--(2E)-N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)prop-2-enamide (1/1)2-hydroxypropanoic acid--(2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide (1/1)N-((4-((1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl)phenyl)methyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-aminium 2-hydroxypropanoateN-({4-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}methyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-aminium 2-hydroxypropanoateRefChem:57000(2E)-N-Hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)prop-2-enamide mono((2RS)-2-hydroxypropanoate)Panobinostat lactate [JAN](E)-N-Hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)acrylamide 2-hydroxypropanoate
Data from PubChem (NCBI)
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