TSN

TRICHOSTATIN A

Created:	1999-07-30
Last modified:	2021-03-13

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16 entries where TSN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	6

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Chemical Component Summary
Name	TRICHOSTATIN A
Synonyms	7-[4-(DIMETHYLAMINO)PHENYL]-N-HYDROXY-4,6-DIMETHYL-7-OXO-2,4-HEPTADIENAMIDE
Systematic Name (OpenEye OEToolkits)	(2E,4E,6R)-7-(4-dimethylaminophenyl)-N-hydroxy-4,6-dimethyl-7-oxo-hepta-2,4-dienamide
Formula	C₁₇ H₂₂ N₂ O₃
Molecular Weight	302.368
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NO)\C=C\C(=C\C(C(=O)c1ccc(N(C)C)cc1)C)C
SMILES	CACTVS	3.341	C[CH](C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C
SMILES	OpenEye OEToolkits	1.5.0	CC(C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C
Canonical SMILES	CACTVS	3.341	C[C@H](\C=C(C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
InChI	InChI	1.03	InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
InChIKey	InChI	1.03	RTKIYFITIVXBLE-QEQCGCAPSA-N

Drug Info: DrugBank

DrugBank ID	DB04297
Name	Trichostatin A
Groups	experimental
Synonyms	TSA Trichostatin A
Categories	Amines Anti-Infective Agents Antifungal Agents Antineoplastic Agents Benzene Derivatives Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Histone Deacetylase Inhibitors Hydroxy Acids Hydroxylamines Protein Synthesis Inhibitors Pyrans
CAS number	58880-19-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Histone deacetylase 7	MDLRVGQRPPVEPPPEPTLLALQRPQRLHHHLFLAGLQQQRSVEPMRLSM...	unknown
Histone deacetylase 8	MEEPEEPADSGQSLVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYAL...	unknown
Acetoin utilization protein	MKKVKLIGTLDYGKYRYPKNHPLKIPRVSLLLRFLDAMNLIDEKELIKSR...	unknown
Caspase-8	MDFSRNLYDIGEQLDSEDLASLKFLSLDYIPQRKQEPIKDALMLFQRLQE...	unknown	activator
Prostaglandin E2 Receptors	MSPCGPLNLSLAGEATTCAAPWVPNTSAVPPSGASPALPIFSMTLGAVSN...	unknown	regulator
Tumor necrosis factor	MSTESMIRDVELAEEALPKKTGGPQGSRRCLFLSLFSFLIVAGATTLFCL...	unknown	downregulator
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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