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 |
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 °C at 760 mmHg |
Density: | 1.23 g/cm3 |
Appearance: | Powder |
MDL: | MFCD00004988 |
LogP: | 2.68130 |
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 |
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 |
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 |
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