SNG-1153 - ≥98% , CAS No.1446712-19-1

CAS: 1446712-19-1 Cat. No.: S413591 Fórmula: C₂₁H₁₇F₃O₅ Peso molecular: 406.36 PubChem CID: 71621167

GRADE & PURITY ≥98%

Synonyms

SCHEMBL16239284 | (2E)-N-[3-(3,3'-Bithiophen-5-ylmethoxy)benzyl]-N-ethyl-6,6-dimethyl-2-hepten-4-yn-1-amine (2Z)-2-butenedioate (1:1) | AKOS025287512 | AS-74625 | WHC71219 | Fukelading | BCP23697 | EX-A583 | 2-(4-trifluoromethylphenyl)-3,5,7-trihydroxy-8-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

SNG-1153 is a synthetic modulator of estrogen receptor ER-α36 with anticancer activity.

Specifications

Sinónimos

SCHEMBL16239284 | (2E)-N-[3-(3,3'-Bithiophen-5-ylmethoxy)benzyl]-N-ethyl-6,6-dimethyl-2-hepten-4-yn-1-amine (2Z)-2-butenedioate (1:1) | AKOS025287512 | AS-74625 | WHC71219 | Fukelading | BCP23697 | EX-A583 | 2-(4-trifluoromethylphenyl)-3,5,7-trihydroxy-8-

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

SNG-1153 is a synthetic modulator of estrogen receptor ER-α36 with anticancer activity.

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

≥98%

Nomes e identificadores

• Pubchem Sid: 504772184
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772184
• Sorrisos canónicos: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)C(F)(F)F)O)C
• IUPAC Name: 3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-[4-(trifluoromethyl)phenyl]chromen-4-one
• InChIKey: OXHMDMVBLQNMGP-UHFFFAOYSA-N
• INCHI: 1S/C21H17F3O5/c1-10(2)3-8-13-14(25)9-15(26)16-17(27)18(28)19(29-20(13)16)11-4-6-12(7-5-11)21(22,23)24/h3-7,9,25-26,28H,8H2,1-2H3
• SMILES isoméricas: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)C(F)(F)F)O)C
• PubChem CID: 71621167
• Peso molecular: 406.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass Flavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: 8-prenylated flavones
• Alternative Parents: Flavonols 3-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Chromones Trifluoromethylbenzenes Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Polyols Oxacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 8-prenylated flavone - 3-hydroxyflavone - Hydroxyflavonoid - 3-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Chromone - Trifluoromethylbenzene - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Oxacycle - Organoheterocyclic compound - Polyol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 8-prenylated flavones. These are flavones that features a C5-isoprenoid substituent at the 8-position.
• 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 (não humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 406.400 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 406.103 Da
• Monoisotopic Mass: 406.103 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 687.000
• 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 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.

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

The CAS Number is 1446712-19-1, the molecular formula is C21H17F3O5, and the molecular weight is 406.36 g/mol. InChIKey OXHMDMVBLQNMGP-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.