PCI-34051

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 Search

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
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18256683 | https://www.ncbi.nlm.nih.gov/pubmed/24380043
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

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Histone deacetylase 8 17 Target ID: CHEMBL3192 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24380043 \| https://www.ncbi.nlm.nih.gov/pubmed/18256683	Inhibitor 8297		10.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Asthma 241 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27565183	Primary		Preclinical	Unknown Approved Use Unknown
Cancer 592 Sources: http://adisinsight.springer.com/drugs/800020937 https://www.ncbi.nlm.nih.gov/pubmed/26200462	Primary		Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
		252160511

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

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 UTC 2023` Edited by `admin` on `Sat Dec 16 09:53:16 UTC 2023`
Record UNII	PUI52VXV61
Record Status	`Validated (UNII)`
Record Version

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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