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

CAS: 1253799-29-9 Cat. No.: T412158 Formule: C₃₅H₃₀FNO₃ Poids moléculaire: 531.6 Numéro CE: 811-500-0 PubChem CID: 71739305

QUALITÉ & PURETÉ 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

Vue d’ensemble

Information

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

Spécifications

Synonymes

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

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Pureté

≥98%

Noms et identifiants

Sourires canoniques

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

Isomères 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

Poids moléculaire

531.6

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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