TP-353 - Moligand™, ≥98% , CAS No.1253799-29-9

CAS: 1253799-29-9 Cat. No.: T412158 Fórmula: C₃₅H₃₀FNO₃ Peso molecular: 531.6 Número EC: 811-500-0 PubChem CID: 71739305

CALIDAD & PUREZA Moligand™, ≥98%

Synonyms

C35H30FNO3 | TP353 | TP-353 | EX-A1519 | DS-18922 | 2-Benzyloxy-3-dibenzylaMino-5-fluoro-6-Methylbenzoic acid phenyl ester | 2-Benzyloxy-3-dibenzylaMino-5-fluoro-6-Methyl-benzoic acid phenyl ester | BCP09207 | SCHEMBL113438 | phenyl 2-(benzyloxy)-3-(diben

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

Information

TP353 (EOS-61973) is an inhibitor of CDK7.

Especificaciones

Sinónimos

C35H30FNO3 | TP353 | TP-353 | EX-A1519 | DS-18922 | 2-Benzyloxy-3-dibenzylaMino-5-fluoro-6-Methylbenzoic acid phenyl ester | 2-Benzyloxy-3-dibenzylaMino-5-fluoro-6-Methyl-benzoic acid phenyl ester | BCP09207 | SCHEMBL113438 | phenyl 2-(benzyloxy)-3-(diben

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

TP353 (EOS-61973) is an inhibitor of CDK7.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CC1=C(C=C(C(=C1C(=O)OC2=CC=CC=C2)OCC3=CC=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)F

IUPAC Name

phenyl 5-(dibenzylamino)-3-fluoro-2-methyl-6-phenylmethoxybenzoate

InChIKey

VRXGVVAMXZXKNA-UHFFFAOYSA-N

INCHI

1S/C35H30FNO3/c1-26-31(36)22-32(37(23-27-14-6-2-7-15-27)24-28-16-8-3-9-17-28)34(39-25-29-18-10-4-11-19-29)33(26)35(38)40-30-20-12-5-13-21-30/h2-22H,23-25H2,1H3

Isómeros SMILES

CC1=C(C=C(C(=C1C(=O)OC2=CC=CC=C2)OCC3=CC=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)F

PubChem CID

71739305

Peso molecular

531.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Depsides and depsidones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Depsides and depsidones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Depsides and depsidones
• Alternative Parents: Phenylbenzamines 3-halobenzoic acids and derivatives Phenol esters Aminobenzoic acids and derivatives Benzoic acid esters Aminophenyl ethers Phenoxy compounds Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Benzylamines Dialkylarylamines Aralkylamines Alkyl aryl ethers Fluorobenzenes Aryl fluorides Amino acids and derivatives Carboxylic acid esters Hydrocarbon derivatives Organofluorides Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Depside backbone - Phenylbenzamine - Phenol ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Aminophenyl ether - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Benzylamine - Phenylmethylamine - Phenol ether - Benzoyl - Phenoxy compound - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Aralkylamine - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
• 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

Propiedades químicas y físicas

• Peso molecular: 531.600 g/mol
• XLogP3: 8.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 531.221 Da
• Monoisotopic Mass: 531.221 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 719.000
• 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