DCZ0415 - Moligand™,≥99% , CAS No.2242470-43-3

CAS: 2242470-43-3 Cat. No.: D647515 Molecular Weight: 356.42 PubChem CID: 145925662

GRADE & PURITY Moligand™, ≥99%

Synonyms

2-(4-(Pyridin-4-ylmethyl)phenyl)-4,4a,5,5a,6,6a-hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione | 4,4a,5,5a,6,6a-Hexahydro-2-[4-(4-pyridinylmethyl)phenyl]-4,6-ethenocycloprop[f]isoindole-1,3(2H,3aH)-dione | DCZ 0415 | DCZ-0415

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-(4-(Pyridin-4-ylmethyl)phenyl)-4, 4a, 5, 5a, 6, 6a-hexahydro-4, 6-ethenocyclopropa[f]isoindole-1, 3(2H, 3aH)-dione | 4, 4a, 5, 5a, 6, 6a-Hexahydro-2-[4-(4-pyridinylmethyl)phenyl]-4, 6-ethenocycloprop[f]isoindole-1, 3(2H, 3aH)-dione | DCZ 0415 | DCZ-0415

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

DCZ0415, a potent TRIP13 inhibitor, impairs nonhomologous end joining repair and inhibits NF-κB activity. DCZ0415 induces anti-myeloma activity in vitro, in vivo, and in primary cells derived from drug-resistant myeloma patients.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC=C(C=C5)CC6=CC=NC=C6
• IUPAC Name: 4-[4-(pyridin-4-ylmethyl)phenyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
• InChIKey: LOXMLWHUIONWMI-UHFFFAOYSA-N
• INCHI: 1S/C23H20N2O2/c26-22-20-16-5-6-17(19-12-18(16)19)21(20)23(27)25(22)15-3-1-13(2-4-15)11-14-7-9-24-10-8-14/h1-10,16-21H,11-12H2
• PubChem CID: 145925662
• Molecular Weight: 356.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Isoindolones Pyrrolidine-2-ones Pyridines and derivatives N-substituted carboxylic acid imides Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Dicarboximides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-phenylpyrrolidine - Isoindolone - Isoindole or derivatives - Isoindoline - Benzenoid - 2-pyrrolidone - Pyrrolidone - Pyridine - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Dicarboximide - Carboxylic acid imide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 62.5 mg/mL (175.35 mM; Need ultrasonic)
• Molecular Weight: 356.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 356.152 Da
• Monoisotopic Mass: 356.152 Da
• Topological Polar Surface Area: 50.300 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 638.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 6
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1