4-Nitro-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one , CAS No.26559-69-3

CAS: 26559-69-3 Cat. No.: N668494 Molecular Weight: 315.3
AVAILABLE TO ORDER
Synonyms
4-Nitro-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one | 15-nitro-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one | SMR000173794 | Oprea1_481215 | Oprea1_669651 | MLS000560963 | 4-Nitro-7H-benzimidazo[2,
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
N668494-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
N668494-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
4-Nitro-benzo[de]benzo[4, 5]imidazo[2, 1-a]isoquinolin-7-one | 15-nitro-3, 10-diazapentacyclo[10.7.1.02, 10.04, 9.016, 20]icosa-1(19), 2, 4, 6, 8, 12(20), 13, 15, 17-nonaen-11-one | SMR000173794 | Oprea1_481215 | Oprea1_669651 | MLS000560963 | 4-Nitro-7H-benzimidazo[2,
Storage
Room temperature
Product Properties
ALogP3.8
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)N=C3N2C(=O)C4=C5C3=CC=CC5=C(C=C4)[N+](=O)[O-]
IUPAC Name15-nitro-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
InChIKeyJLAHLIKOBNNHKO-UHFFFAOYSA-N
INCHI1S/C18H9N3O3/c22-18-12-8-9-14(21(23)24)10-4-3-5-11(16(10)12)17-19-13-6-1-2-7-15(13)20(17)18/h1-9H
Isomeric SMILES C1=CC=C2C(=C1)N=C3N2C(=O)C4=C5C3=CC=CC5=C(C=C4)[N+](=O)[O-]
Molecular Weight 315.3
Reaxy-Rn 761779
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=761779&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassNaphthalenes
SubclassNitronaphthalenes
Intermediate Tree Nodes Not available
Direct ParentNitronaphthalenes
Alternative Parents Isoquinolones and derivatives  Benzimidazoles  Imidazo[1,2-a]pyridines  Nitroaromatic compounds  Pyridinones  N-substituted imidazoles  Heteroaromatic compounds  Lactams  Organic oxoazanium compounds  Azacyclic compounds  Propargyl-type 1,3-dipolar organic compounds  Organonitrogen compounds  Organic oxides  Organopnictogen compounds  Hydrocarbon derivatives  Organooxygen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1-nitronaphthalene - Isoquinolone - Isoquinoline - Benzimidazole - Imidazo[1,2-a]pyridine - Nitroaromatic compound - Pyridinone - N-substituted imidazole - Pyridine - Heteroaromatic compound - Imidazole - Azole - Organic nitro compound - Lactam - C-nitro compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP3A4 Tclin Cytochrome P450 3A4 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight315.300 g/mol
XLogP33.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass315.064 Da
Monoisotopic Mass315.064 Da
Topological Polar Surface Area80.700 Ų
Heavy Atom Count24
Formal Charge0
Complexity562.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.