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MI-192

CAT: 0931-T21898Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T21898Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1415340-63-4
Target
Others, Apoptosis, HDAC
Related Pathways
Apoptosis, Chromatin/Epigenetic, Others, DNA Damage/DNA Repair
Bioactivity
MI-192 is a selective HDAC2 and HDAC3 inhibitor with IC50 values of 30 nM and 16 nM, respectively. It exhibits greater selectivity for HDAC2/3 over other HDAC isomers and induces apoptosis in myeloid leukemic cells, indicating potential therapeutic use in leukemia and as an anti-stroke agent [1] [2].
Smiles
O=C1C=2C(C(=C)CN1CC3=CC=C(C(NC4=C(N)C=CC=C4)=O)C=C3)=CC=CC2
Molecular Formula
C24H21N3O2
Molecular Weight
383.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-aminophenyl)-4-[(3,4-dihydro-4-methylene-1-oxo-2(1H)-isoquinolinyl)methyl]-benzamide
CAS Number1415340-63-4
PubChem CID56965342
IUPAC NameN-(2-aminophenyl)-4-[(4-methylidene-1-oxo-3H-isoquinolin-2-yl)methyl]benzamide
Molecular FormulaC24H21N3O2
Molecular Weight383.4
XLogP3
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity626
SMILES
C=C1CN(C(=O)C2=CC=CC=C12)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N
InChI
InChI=1S/C24H21N3O2/c1-16-14-27(24(29)20-7-3-2-6-19(16)20)15-17-10-12-18(13-11-17)23(28)26-22-9-5-4-8-21(22)25/h2-13H,1,14-15,25H2,(H,26,28)
InChIKey
GTLTXEIKQVWSRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-aminophenyl)-4-[(3,4-dihydro-4-methylene-1-oxo-2(1H)-isoquinolinyl)methyl]-benzamide
CAS: 1415340-63-4
CID: 56965342
Formula: C24H21N3O2
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass383.16337692
Monoisotopic Mass383.16337692
Topological Polar Surface Area75.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity626
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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