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Details

Stereochemistry ACHIRAL
Molecular Formula C17H16N2O3
Molecular Weight 296.3205
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PCI-34051

SMILES

COC1=CC=C(CN2C=CC3=C2C=C(C=C3)C(=O)NO)C=C1

InChI

InChIKey=AJRGHIGYPXNABY-UHFFFAOYSA-N
InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)

HIDE SMILES / InChI

Molecular Formula C17H16N2O3
Molecular Weight 296.3205
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/26200462

PCI-34051 is a potent and specific HDAC8 inhibitor with IC50 of 10 nM in a cell-free assay. PCI-34051 inhibits ovarian tumor line OVCAR-3 with a GI50 of 6 μM and 15% cell death. Neither significant tubulin nor histone acetylation is observed in the sensitive cell lines treated with PCI-34051 at concentrations less than 25 μM at 24 hours nor at earlier timepoints. PCI-34051 induces a selective cytotoxic effect in cell lines derived only from T-cell malignancies. PCI-34051 induces caspase-dependent apoptosis. PCI-34051 undergoes preclinical studies for cancer

CNS Activity

Curator's Comment: PCI-34051 is a potent neuroprotective agent

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
10.0 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
PCI-34051 at 5 uM stimulates poly(ADP-ribose) polymerase cleavage at 48 h in Jurkat cells
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:53:16 GMT 2023
Edited
by admin
on Sat Dec 16 09:53:16 GMT 2023
Record UNII
PUI52VXV61
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PCI-34051
Common Name English
N-HYDROXY-1-(4-METHOXYBENZYL)-1H-INDOLE-6-CARBOXAMIDE
Systematic Name English
1H-INDOLE-6-CARBOXAMIDE, N-HYDROXY-1-((4-METHOXYPHENYL)METHYL)-
Systematic Name English
Code System Code Type Description
CAS
950762-95-5
Created by admin on Sat Dec 16 09:53:16 GMT 2023 , Edited by admin on Sat Dec 16 09:53:16 GMT 2023
PRIMARY
PUBCHEM
24753719
Created by admin on Sat Dec 16 09:53:16 GMT 2023 , Edited by admin on Sat Dec 16 09:53:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID10647187
Created by admin on Sat Dec 16 09:53:16 GMT 2023 , Edited by admin on Sat Dec 16 09:53:16 GMT 2023
PRIMARY
CAS
1072027-64-5
Created by admin on Sat Dec 16 09:53:16 GMT 2023 , Edited by admin on Sat Dec 16 09:53:16 GMT 2023
SUPERSEDED
FDA UNII
PUI52VXV61
Created by admin on Sat Dec 16 09:53:16 GMT 2023 , Edited by admin on Sat Dec 16 09:53:16 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
BINDING
IC50
TARGET -> INHIBITOR
BINDING
IC50
TARGET -> INHIBITOR
BINDING
IC50
Related Record Type Details
ACTIVE MOIETY