BRD-7389 - ≥98% , CAS No.376382-11-5

CAS: 376382-11-5 Cat. No.: B276067 Molecular Weight: 366.41 EC Number: 685-978-2

GRADE & PURITY ≥98%

Synonyms

Oprea1_487649 | 1-Phenethylamino-3H-naphtho[1,2,3-de]quinoline-2,7-dione | AKOS000594176 | IDI1_025137 | CCG-120899 | 1-[(2-phenylethyl)amino]-3H-naphtho[1,2,3-de]quinoline-2,7-dione | NCGC00177846-03 | Q27165722 | BAS 05532738 | SCHEMBL21461689 | HMS1493

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

Oprea1_487649 | 1-Phenethylamino-3H-naphtho[1, 2, 3-de]quinoline-2, 7-dione | AKOS000594176 | IDI1_025137 | CCG-120899 | 1-[(2-phenylethyl)amino]-3H-naphtho[1, 2, 3-de]quinoline-2, 7-dione | NCGC00177846-03 | Q27165722 | BAS 05532738 | SCHEMBL21461689 | HMS1493

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

p90 ribosomal S6 kinase RSK inhibitor (IC 50 values are 1.2, 1.5 and 2.4 μM for RSK3, RSK1 and RSK2 respectively). Upregulates insulin expression in pancreatic α-cells. Shows reprogramming effects in terminally differentiated cells.

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760375
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760375
• Canonical Smiles: C1=CC=C(C=C1)CCNC2=C3C4=CC=CC=C4C(=O)C5=C3C(=CC=C5)NC2=O
• IUPAC Name: 16-(2-phenylethylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
• InChIKey: XASCINRGTHLHGM-UHFFFAOYSA-N
• INCHI: 1S/C24H18N2O2/c27-23-17-10-5-4-9-16(17)21-20-18(23)11-6-12-19(20)26-24(28)22(21)25-14-13-15-7-2-1-3-8-15/h1-12,25H,13-14H2,(H,26,28)
• Isomeric SMILES: C1=CC=C(C=C1)CCNC2=C3C4=CC=CC=C4C(=O)C5=C3C(=CC=C5)NC2=O
• Molecular Weight: 366.41
• Reaxy-Rn: 21048055
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21048055&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Aminoquinolines and derivatives Isoquinolones and derivatives Hydroquinolones Hydroquinolines Phenethylamines Aryl ketones Secondary alkylarylamines Pyridinones Aminopyridines and derivatives Aralkylamines Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Anthracene - Aminoquinoline - Dihydroquinolone - Isoquinolone - Dihydroquinoline - Quinoline - Phenethylamine - Aryl ketone - Aminopyridine - Pyridinone - Secondary aliphatic/aromatic amine - Aralkylamine - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Lactam - Ketone - Azacycle - Organoheterocyclic compound - Secondary amine - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• External Descriptors: Not available

Data sources

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(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 100 mM
• Sensitivity: Light sensitive
• Molecular Weight: 366.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 366.137 Da
• Monoisotopic Mass: 366.137 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 664.000
• 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