EN6 - 10mM in DMSO , CAS No.1808714-73-9

CAS: 1808714-73-9 Cat. No.: E422218 Fórmula: C₁₉H₁₄F₂N₄O₂ Peso molecular: 368.34 Número CE: 846-764-6

GRADE & PURITY 10mM in DMSO

Synonyms

BS-15697 | SCHEMBL21393135 | ZB1625 | EN300-1720461 | AC-36359 | Z1410267069 | AKOS037648810 | EN6 | EN-6 | ABM-4739 | 1808714-73-9 | C19H14F2N4O2 | HY-128892 | N-[4-fluoro-3-(prop-2-enamido)phenyl]-1-(2-fluorophenyl)-1H-pyrazole-4-carboxamide | 1-(2-fluo

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Information

EN6 is a novel covalentautophagyactivator and targets cysteine 277 in the ATP6V1A subunit of the lysosomal v-ATPase with an IC50 of 1.7 μM for recombinant human ATP6V1A protein.

Specifications

Sinónimos

BS-15697 | SCHEMBL21393135 | ZB1625 | EN300-1720461 | AC-36359 | Z1410267069 | AKOS037648810 | EN6 | EN-6 | ABM-4739 | 1808714-73-9 | C19H14F2N4O2 | HY-128892 | N-[4-fluoro-3-(prop-2-enamido)phenyl]-1-(2-fluorophenyl)-1H-pyrazole-4-carboxamide | 1-(2-fluo

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

EN6 is an autophagy activator that simultaneously upregulates lysosomal vacuolar H(+)-ATPase (v-ATPase) activity and induces its decoupling from the Rag GTPases by covalently targeting v-ATPase subunit ATP6V1A Cys277. EN6 blocks mTORC1 lysosomal recruitme

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

ACTIVATOR

Propriedades do produto

ALogP

3.07

hba_count

3

Contagem HBD

2

Ligação rotativa

5

Nomes e identificadores

Pubchem Sid

528764356

Sorrisos canónicos

C=CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3F)F

IUPAC Name

1-(2-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide

InChIKey

SUSXQEYPNDORDQ-UHFFFAOYSA-N

INCHI

1S/C19H14F2N4O2/c1-2-18(26)24-16-9-13(7-8-14(16)20)23-19(27)12-10-22-25(11-12)17-6-4-3-5-15(17)21/h2-11H,1H2,(H,23,27)(H,24,26)

SMILES isoméricas

C=CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3F)F

Peso molecular

368.34

Reaxy-Rn

36433117

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36433117&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Phenylpyrazoles Pyrazole-4-carboxamides N-arylamides Fluorobenzenes Aryl fluorides Vinylogous amides Heteroaromatic compounds Acrylic acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Phenylpyrazole - Pyrazole-4-carboxamide - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Azole - Acrylic acid or derivatives - Pyrazole - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl 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

• DMSO (mg/mL) Solubilidade máxima: 74
• DMSO (mM) Solubilidade máxima: 200.901341152196
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 368.300 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 368.108 Da
• Monoisotopic Mass: 368.108 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 562.000
• 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