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BRD 8430

CAT: 1410-M12045Size: 1 EachDry Ice: NoHazardous: No
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Description
BRD 8430 is a potent, selective class I HDAC inhibitor (HDAC1>2 >3) with IC50 of 69 nM/560/1300 nM for HDAC1/2/3, respectively.
CAS Number
1482499-16-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
573.738
Molecular Formula
C33H43N5O4
Notes
Research use only, not for human use.
Receptor
HDAC

Chemical Information

N-(2-aminophenyl)-4-[[[(2R,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide

N-(2-aminophenyl)-4-[[[(2R,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide is a member of benzamides.

CAS Number1482499-16-0
PubChem CID44507247
IUPAC NameN-(2-aminophenyl)-4-[[[(2R,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
Molecular FormulaC33H43N5O4
Molecular Weight573.7
XLogP3.5
Topological Polar Surface Area111
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count42
Formal Charge0
Complexity865
SMILES
C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@H]1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)[C@H](C)CO
InChI
InChI=1S/C33H43N5O4/c1-22-18-38(23(2)21-39)32(40)17-26-16-27(36(3)4)14-15-30(26)42-31(22)20-37(5)19-24-10-12-25(13-11-24)33(41)35-29-9-7-6-8-28(29)34/h6-16,22-23,31,39H,17-21,34H2,1-5H3,(H,35,41)/t22-,23+,31-/m0/s1
InChIKey
ZBLCOVKAEUNWGN-LWPQGVMLSA-N
Chemical Structure
2D Structure
2D structure of N-(2-aminophenyl)-4-[[[(2R,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
CAS: 1482499-16-0
CID: 44507247
Formula: C33H43N5O4
MW: 573.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight573.7
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass573.33150487
Monoisotopic Mass573.33150487
Topological Polar Surface Area111 Ų
Heavy Atom Count42
Formal Charge0
Complexity865
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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