Cromeceptina - ≥98% , CAS No.331859-86-0

CAS: 331859-86-0 Cat. No.: C338592 Fórmula: C₁₉H₁₆F₃N₃O Peso molecular: 359.35

GRADE & PURITY ≥98%

Synonyms

AKOS040758881 | Chromeceptin | NCGC00485180-01 | SCHEMBL4327759 | Chromeceptin, >=98% (HPLC), sólido | MS-25660 | 2-amino-7-(dimetilamino)-4-[3-(trifluorometil)fenil]-4H-cromeno-3-carbonitrilo | GVINXTXGDDSXFQ-UHFFFAOYSA-N | EX-A7031 | F77729 | 2-Amino

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

A cromeceptina é um composto de benzocromeno permeável às células que bloqueia a adipogénese induzida pela insulina nas células 3T3-L1 (bloqueio a 100% a ≤ 20 ng/μl) e suprime seletivamente o crescimento dependente de IGF2- (fator de crescimento semelhante à insulina 2) das células de carcinoma HepG2 (IC|50|= 29 nM). Foi demonstrado que a cromeceptina se liga à MFP-2 (proteína multifuncional-2) e ativa a expressão de genes mediados por STAT6, tais como IGFBP-1 e SOCS-3, em células HepG2.

Specifications

Sinónimos

AKOS040758881 | Chromeceptin | NCGC00485180-01 | SCHEMBL4327759 | Chromeceptin, >=98% (HPLC), sólido | MS-25660 | 2-amino-7-(dimetilamino)-4-[3-(trifluorometil)fenil]-4H-cromeno-3-carbonitrilo | GVINXTXGDDSXFQ-UHFFFAOYSA-N | EX-A7031 | F77729 | 2-Amino

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504762464
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762464
• Sorrisos canónicos: CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=CC=C3)C(F)(F)F
• IUPAC Name: 2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-4H-chromene-3-carbonitrile
• InChIKey: GVINXTXGDDSXFQ-UHFFFAOYSA-N
• INCHI: 1S/C19H16F3N3O/c1-25(2)13-6-7-14-16(9-13)26-18(24)15(10-23)17(14)11-4-3-5-12(8-11)19(20,21)22/h3-9,17H,24H2,1-2H3
• SMILES isoméricas: CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=CC=C3)C(F)(F)F
• WGK Alemanha: 3
• Peso molecular: 359.35
• Reaxy-Rn: 11787426
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11787426&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Neoflavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Neoflavonoids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Neoflavonoids
• Alternative Parents: Trifluoromethylbenzenes 1-benzopyrans Dialkylarylamines Ketene acetals Oxacyclic compounds Nitriles Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Neoflavonoid skeleton - Benzopyran - Trifluoromethylbenzene - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - Ketene acetal or derivatives - Tertiary amine - Nitrile - Carbonitrile - Oxacycle - Organoheterocyclic compound - Alkyl halide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Cyanide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene backbone.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water (<2 mg/ml), DMSO (>20 mg/ml), and methanol (100 mg/ml).
• Índice de refração: n20D1.61 (Predicted)
• Ponto de ebulição (°C): ~497.2° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 189.05° C (Predicted)
• Peso molecular: 359.300 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 359.125 Da
• Monoisotopic Mass: 359.125 Da
• Topological Polar Surface Area: 62.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 607.000
• 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