6(5H)-Phenanthridinone - CAS 1015-89-0

Catalog:	BB000560
Product Name:	6(5H)-Phenanthridinone
CAS:	1015-89-0
Synonyms:	5H-phenanthridin-6-one; 5H-phenanthridin-6-one

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Computed Properties

IUPAC Name:	5H-phenanthridin-6-one
Description:	6(5H)-Phenanthridinone (CAS# 1015-89-0) is a poly(ADP-ribose) polymerase (PARP) inhibitor with immunosuppressive effects. 6-Phenanthridone has been shown to inhibit concanavalin A-induced lymphocyte proliferation.
Molecular Weight:	195.22
Molecular Formula:	C13H9NO
Canonical SMILES:	C1=CC=C2C(=C1)C3=CC=CC=C3NC2=O
InChI:	InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
InChI Key:	RZFVLEJOHSLEFR-UHFFFAOYSA-N
Boiling Point:	274.8 ℃ at 760 mmHg
Density:	1.23 g/cm³
Appearance:	Powder
MDL:	MFCD00004988
LogP:	2.68130

Publication Number	Title	Priority Date
WO-2021191058-A1	Materials for organic electroluminescent devices	20200323
WO-2021183218-A1	Compositions and methods for modulating the interaction between ss18-ssx fusion oncoprotein and nucleosomes	20200313
WO-2021162981-A2	Methods and compositions for identifying castration resistant neuroendocrine prostate cancer	20200211
WO-2021150925-A1	Uses of biomarkers for improving immunotherapy	20200124
KR-20210052356-A	Method and Kit for Determining Reactivity to PARP inhibitor	20191030

PMID	Publication Date	Title	Journal
29416738	20180105	PARP-1 inhibitors sensitize HNSCC cells to APR-246 by inactivation of thioredoxin reductase 1 (TrxR1) and promotion of ROS accumulation	Oncotarget
28209915	20170328	Exclusive destruction of mitotic spindles in human cancer cells	Oncotarget
24900770	20140109	Evaluation and Structural Basis for the Inhibition of Tankyrases by PARP Inhibitors	ACS medicinal chemistry letters
22921081	20121001	Apoptosis-inducing effects of distichamine and narciprimine, rare alkaloids of the plant family Amaryllidaceae	Bioorganic & medicinal chemistry letters
22476208	20120521	Stereoselective synthesis of functionalised carbocyclic amides: construction of the syn-(4aS,10bS)-phenanthridone skeleton	Organic & biomolecular chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	263
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.068413911
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.068413911
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5