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Dacinostat (LAQ824)

CAT: 0957-S1095-200mgSize: 200 mgDry Ice: YesHazardous: No
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CAT#:0957-S1095-200mgSize:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
404951-53-7
Synonyms
NVP-LAQ824
Target
HDAC
Applications
DNA Damage/DNA Repair
Smiles
C1=CC=C2C (=C1) C (=CN2) CCN (CCO) CC3=CC=C (C=C3) C=CC (=O) NO
Molecular Formula
C22H25N3O3
Additionnal Information
Dacinostat (LAQ824, NVP-LAQ824) is a novel HDAC inhibitor with IC50 of 32 nM and is known to activate the p21 promoter.
Storage Conditions
2 years -80 in solvent

Chemical Information

Dacinostat

N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2-propenamide is a member of tryptamines.

CAS Number404951-53-7
PubChem CID6445533
IUPAC Name(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide
Molecular FormulaC22H25N3O3
Molecular Weight379.5
XLogP2.6
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity505
SMILES
C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO
InChI
InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
InChIKey
BWDQBBCUWLSASG-MDZDMXLPSA-N
Chemical Structure
2D Structure
2D structure of Dacinostat
CAS: 404951-53-7
CID: 6445533
Formula: C22H25N3O3
MW: 379.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.5
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass379.18959167
Monoisotopic Mass379.18959167
Topological Polar Surface Area88.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity505
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
S1095-1gDacinostat (LAQ824)
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MBS576322LAQ824 (Dacinostat)
MBS385847-01LAQ824 (NVP-LAQ824, Dacinostat)
A10516-1LAQ824 (NVP-LAQ824, Dacinostat) 1mg
A10516-500LAQ824 (NVP-LAQ824, Dacinostat) 500mg
A10516-25LAQ824 (NVP-LAQ824, Dacinostat) 25mg
A10516-5LAQ824 (NVP-LAQ824, Dacinostat) 5mg
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