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Resminostat hydrochloride

CAT: 0957-E7679Size: 5 mgDry Ice: YesHazardous: No
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CAT#:0957-E7679Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Resminostat hydrochloride is a potent inhibitor of HDAC1, HDAC3 and HDAC6, with mean IC50 values of 42.5, 50.1, 71.8 nM, respectively, and shows less potent activities against HDAC8, with an IC50 of 877 nM.
CAS Number
1187075-34-8
Synonyms
RAS2410 hydrochloride, 4SC-201 hydrochloride
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

Resminostat hydrochloride
CAS Number1187075-34-8
PubChem CID16662815
IUPAC Name(E)-3-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide;hydrochloride
Molecular FormulaC16H20ClN3O4S
Molecular Weight385.9
Topological Polar Surface Area100
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity548
SMILES
CN(C)CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)/C=C/C(=O)NO.Cl
InChI
InChI=1S/C16H19N3O4S.ClH/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21;/h3-10,12,21H,11H2,1-2H3,(H,17,20);1H/b8-5+;
InChIKey
BVXPKDRKHXARHY-HAAWTFQLSA-N
Chemical Structure
2D Structure
2D structure of Resminostat hydrochloride
CAS: 1187075-34-8
CID: 16662815
Formula: C16H20ClN3O4S
MW: 385.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight385.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass385.0863050
Monoisotopic Mass385.0863050
Topological Polar Surface Area100 Ų
Heavy Atom Count25
Formal Charge0
Complexity548
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes