Retro-2 cycl - ≥99% , CAS No.1429192-00-6

CAS: 1429192-00-6 Cat. No.: R648860 Fórmula: C₁₉H₁₆N₂OS Peso molecular: 320.41 PubChem CID: 71716811

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Retro-2 cycl (RN 1-001) is a dihydroquinazolinone (DHQZ) inhibitor of retrograde trafficking. Retro-2 cycl (RN 1-001) inhibits JCPyV and HPV16 pseudovirus with IC 50 s of 54 μM and 160 μM, respectively. Antiviral agent.

Form:Solid

Specifications

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Retro-2 cycl (RN 1-001) is a dihydroquinazolinone (DHQZ) inhibitor of retrograde trafficking. Retro-2 cycl (RN 1-001) inhibits JCPyV and HPV16 pseudovirus with IC 50 s of 54 μM and 160 μM, respectively. Antiviral 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.

Pureza

≥99%

Nomes e identificadores

• Sorrisos canónicos: CC1=CC=C(S1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4
• IUPAC Name: 2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
• InChIKey: BOAPXDSRULBILC-UHFFFAOYSA-N
• INCHI: 1S/C19H16N2OS/c1-13-11-12-17(23-13)18-20-16-10-6-5-9-15(16)19(22)21(18)14-7-3-2-4-8-14/h2-12,18,20H,1H3
• SMILES isoméricas: CC1=CC=C(S1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4
• WGK Alemanha: 3
• PubChem CID: 71716811
• Peso molecular: 320.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: 2,5-disubstituted thiophenes Benzene and substituted derivatives Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiophene - Vinylogous amide - Heteroaromatic compound - Lactam - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• 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)

HeLa (62764 Activities)

Explore this target

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

Alvos associados (não humanos)

Human papillomavirus type 16 (106 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 : ≥ 125 mg/mL (390.13 mM)
• Peso molecular: 320.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 320.098 Da
• Monoisotopic Mass: 320.098 Da
• Topological Polar Surface Area: 60.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 437.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 1429192-00-6, the molecular formula is C19H16N2OS, and the molecular weight is 320.41 g/mol. InChIKey BOAPXDSRULBILC-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.

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

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

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.