B3N

4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

Created:	2004-05-10
Last modified:	2020-06-05

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21 entries where B3N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	6

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Chemical Component Summary
Name	4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
Synonyms	M344
Systematic Name (OpenEye OEToolkits)	4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxo-heptyl]benzamide
Formula	C₁₆ H₂₅ N₃ O₃
Molecular Weight	307.388
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NO)CCCCCCNC(=O)c1ccc(N(C)C)cc1
SMILES	CACTVS	3.370	CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
SMILES	OpenEye OEToolkits	1.7.0	CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Canonical SMILES	CACTVS	3.370	CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Canonical SMILES	OpenEye OEToolkits	1.7.0	CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
InChI	InChI	1.03	InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
InChIKey	InChI	1.03	MXWDSZWTBOCWBK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02565
Name	4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
Groups	experimental
Synonyms	histone deacetylase inhibitor III 4-dimethylamino-N-(6-hydroxycarbamoylhexyl)benzamide N-hydroxy-7-(4-dimethylaminobenzoyl)aminoheptanamide 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
Categories	Amides Amines Anilides Aniline Compounds Antineoplastic Agents Enzyme Inhibitors Histone Deacetylase Inhibitors Hydroxamic Acids Hydroxy Acids Hydroxylamines
CAS number	251456-60-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Histone deacetylase 8	MEEPEEPADSGQSLVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYAL...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682