BV02 - ≥99% , CAS No.292870-53-2

CAS: 292870-53-2 Cat. No.: B646381 Fórmula: C₂₀H₁₅N₃O₅ Peso molecular: 377.35 Número CE: 803-684-6 PubChem CID: 1087337

GRAU & PUREZA ≥99%

Synonyms

BV02, >=98% (HPLC) | 2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-dioxo-5-isoindolinecarboxylic acid | 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxylic acid | STK257638 | AKOS001693677 | SCHEMBL22463715 | 2-(1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

BV02 is a potent 4-3-3 PPI (14-3-3 protein–protein interaction) inhibitor. BV02 shows cytotoxicity for hematopoietic cells expressing the IM (imatinib mesylate)-sensitive wild type Bcr-Abl and the IM-resistant T315I mutation. BV02 has the potential for the research of chronic myeloid leukemia.

Form:Solid

Especificações

Sinónimos

BV02, >=98% (HPLC) | 2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-dioxo-5-isoindolinecarboxylic acid | 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxylic acid | STK257638 | AKOS001693677 | SCHEMBL22463715 | 2-(1

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

BV02 is a potent 4-3-3 PPI (14-3-3 protein–protein interaction) inhibitor. BV02 shows cytotoxicity for hematopoietic cells expressing the IM (imatinib mesylate)-sensitive wild type Bcr-Abl and the IM-resistant T315I mutation. BV02 has the potential for th

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.

Tipo de ação

INHIBITOR

Pureza

≥99%

Nomes e identificadores

Sorrisos canónicos

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

IUPAC Name

2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxylic acid

InChIKey

ZFYSDSINNOLWGO-UHFFFAOYSA-N

INCHI

1S/C20H15N3O5/c1-11-16(19(26)23(21(11)2)13-6-4-3-5-7-13)22-17(24)14-9-8-12(20(27)28)10-15(14)18(22)25/h3-10H,1-2H3,(H,27,28)

SMILES isoméricas

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O

WGK Alemanha

3

PubChem CID

1087337

Peso molecular

377.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Phthalimides Isoindoles Pyrazolones Benzene and substituted derivatives N-substituted carboxylic acid imides Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Phenylpyrazole - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrazolinone - Benzenoid - Carboxylic acid imide - Heteroaromatic compound - Vinylogous amide - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to 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

Propriedades químicas e físicas

• Solubilidade: DMSO : 11.36 mg/mL (30.10 mM; ultrasonic and warming and heat to 80°C)
• Peso molecular: 377.300 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 377.101 Da
• Monoisotopic Mass: 377.101 Da
• Topological Polar Surface Area: 98.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 770.000
• 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