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2-nitro-6(5H)-phenanthridinone , CAS No.78256-30-1

COA

Cas Number: 78256-30-1
Molecular Weight: 240.21
PubChem CID: 157180

In stock

Item Number

N668091

Grouped product items
SKU	Size	Availability	Price	Qty
N668091-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
N668091-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	2-nitro-6(5H)-phenanthridinone \| 2-Nitro-5H-phenanthridin-6-one \| 6(5H)-Phenanthridinone, 2-nitro- \| 2-NITRO-5,6-DIHYDROPHENANTHRIDIN-6-ONE \| 2-Nitrophenanthridin-6(5H)-one \| NSC113304 \| DTXSID60228920 \| KLNFQJDLPUPRJZ-UHFFFAOYSA-N \| BDBM50101127 \| MFCD00

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Benzoquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Benzoquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Phenanthridines and derivatives
Alternative Parents	Nitroquinolines and derivatives Hydroquinolones Isoquinolones and derivatives Hydroquinolines Nitroaromatic compounds Pyridinones Benzenoids Heteroaromatic compounds Lactams Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organooxygen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenanthridine - Nitroquinoline - Dihydroquinolone - Isoquinolone - Dihydroquinoline - Isoquinoline - Nitroaromatic compound - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PARP1 Tclin Poly [ADP-ribose] polymerase 1 (2 Activities)

Discover Target: PARP1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-nitro-5H-phenanthridin-6-one
INCHI	InChI=1S/C13H8N2O3/c16-13-10-4-2-1-3-9(10)11-7-8(15(17)18)5-6-12(11)14-13/h1-7H,(H,14,16)
InChIKey	KLNFQJDLPUPRJZ-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O
Isomeric SMILES	C1=CC=C2C(=C1)C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O
PubChem CID	157180
Molecular Weight	240.21

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	240.210 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	240.053 Da
Monoisotopic Mass	240.053 Da
Topological Polar Surface Area	74.900 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	366.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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