sabizabulin - Moligand™ , CAS No.1332881-26-1

CAS: 1332881-26-1 Cat. No.: S613390 Número CE: 889-539-8 PubChem CID: 53379371

GRADE & PURITY Moligand™

Synonyms

UNII-37L1JX37J5 | 1332881-26-1 | WQGVHOVEXMOLOK-UHFFFAOYSA-N | (2-(1H-indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl)methanone | AKOS040742814 | Sabizabulin | SABIZABULIN [USAN] | SABIZABULIN [WHO-DD] | S6772 | SCHEMBL724794 | SABIZABULIN [INN] | [2

Storage

Room temperature

Specifications

Sinónimos

UNII-37L1JX37J5 | 1332881-26-1 | WQGVHOVEXMOLOK-UHFFFAOYSA-N | (2-(1H-indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl)methanone | AKOS040742814 | Sabizabulin | SABIZABULIN [USAN] | SABIZABULIN [WHO-DD] | S6772 | SCHEMBL724794 | SABIZABULIN [INN] | [2

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Nomes e identificadores

• Sorrisos canónicos: COC1=CC(=CC(=C1OC)OC)C(=O)C2=CN=C(N2)C3=CNC4=CC=CC=C43
• IUPAC Name: [2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
• InChIKey: WQGVHOVEXMOLOK-UHFFFAOYSA-N
• INCHI: 1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,24)
• SMILES isoméricas: COC1=CC(=CC(=C1OC)OC)C(=O)C2=CN=C(N2)C3=CNC4=CC=CC=C43
• CAS alternativo: 1332881-26-1
• PubChem CID: 53379371
• Termos de entrada MeSH: (2-(1H-indol-3-yl)-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone;methanone, (2-(1H-indol-3-yl)-1H-imidazol-5-yl)(3,4,5-trimethoxyphenyl)-;sabizabulin;VERU-111

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Aryl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Aryl-phenylketones
• Alternative Parents: Indoles Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Carbonylimidazoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl-phenylketone - Indole - Indole or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Imidazole-4-carbonyl group - Substituted pyrrole - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Imidazole - Azole - Azacycle - Ether - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
• 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)

A-375 (9258 Activities)

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DU-145 (51482 Activities)

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M14 (47487 Activities)

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MDA-MB-453 (1139 Activities)

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PC-3 (62116 Activities)

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RPMI-7951 (420 Activities)

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SK-BR-3 (5175 Activities)

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LNCaP (8286 Activities)

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MDA-MB-231 (73002 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 377.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 377.138 Da
• Monoisotopic Mass: 377.138 Da
• Topological Polar Surface Area: 89.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 534.000
• 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 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 room temperature.

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

The CAS Number is 1332881-26-1. InChIKey WQGVHOVEXMOLOK-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.