PBOX 6 - Moligand™,≥98% , CAS No.290814-68-5

CAS: 290814-68-5 Cat. No.: P648174 Fórmula: C₂₅H₂₀N₂O₃ Peso molecular: 396.44 PubChem CID: 9865511

GRAU & PUREZA Moligand™, ≥98%

Synonyms

PBOX-6 | 7-[(N,N-dimethylcarbamoyl)oxy]-6-(naphth-1-yl)pyrrolo[2,1-d][1,5]benzoxazepine | MS-26682 | HY-U00446 | Carbamic acid, N,N-dimethyl-, 6-(1-naphthalenyl)pyrrolo(2,1-d)(1,5)benzoxazepin-7-yl ester | AKOS040742367 | PBOX 6 | pyrrolo-1,5-benzoxazepin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

PBOX 6 is a pyrrolo-1,5-benzoxazepine (PBOX) compound with anticancer and antitumor activity that inhibits breast cancer cell growth in vitro and selectively induces apoptosis in leukemia cells via c-Jun NH2 terminal kinase-dependent phosphorylation and inactivation of Bcl-2 and Bcl-XL.

Especificações

Sinónimos

PBOX-6 | 7-[(N,N-dimethylcarbamoyl)oxy]-6-(naphth-1-yl)pyrrolo[2,1-d][1,5]benzoxazepine | MS-26682 | HY-U00446 | Carbamic acid, N,N-dimethyl-, 6-(1-naphthalenyl)pyrrolo(2,1-d)(1,5)benzoxazepin-7-yl ester | AKOS040742367 | PBOX 6 | pyrrolo-1,5-benzoxazepin

Especificações e pureza

Moligand™,≥98%

Mecanismos bioquímicos e fisiológicos

PBOX 6 is a pyrrolo-1,5-benzoxazepine (PBOX) compound, acts as a microtubule -depolymerizing agent and an apoptotic agent.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

ACTIVATOR

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CN(C)C(=O)OC1=C(OC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC5=CC=CC=C54

IUPAC Name

(6-naphthalen-1-ylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N,N-dimethylcarbamate

InChIKey

SOIZAFVNIXAZFQ-UHFFFAOYSA-N

INCHI

1S/C25H20N2O3/c1-26(2)25(28)30-24-21-14-8-16-27(21)20-13-5-6-15-22(20)29-23(24)19-12-7-10-17-9-3-4-11-18(17)19/h3-16H,1-2H3

SMILES isoméricas

CN(C)C(=O)OC1=C(OC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC5=CC=CC=C54

PubChem CID

9865511

Peso molecular

396.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzoxazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzoxazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazepines
• Alternative Parents: Naphthalenes Pyrroles Heteroaromatic compounds Enol esters Carbamate esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazepine - Naphthalene - Benzenoid - Enol ester - Pyrrole - Carbamic acid ester - Heteroaromatic compound - Azacycle - Oxacycle - Organic oxide - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
• 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

Alvos associados (humanos)

Ca9-22 (362 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 33.33 mg/mL (84.07 mM; Need ultrasonic)
• Sensibilidade: light & Moisture sensitive
• Peso molecular: 396.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 396.147 Da
• Monoisotopic Mass: 396.147 Da
• Topological Polar Surface Area: 43.700 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 675.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 290814-68-5, the molecular formula is C25H20N2O3, and the molecular weight is 396.44 g/mol. InChIKey SOIZAFVNIXAZFQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.