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

CAS: 1808714-73-9 Cat. No.: E422218 Formule: C₁₉H₁₄F₂N₄O₂ Poids moléculaire: 368.34 Numéro 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Type d'action

ACTIVATOR

Propriétés du produit

ALogP

3.07

hba_count

3

Nombre de HBD

2

Liaison rotative

5

Noms et identifiants

Pubchem Sid

528764356

Sourires canoniques

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)

Isomères SMILES

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

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• DMSO (mg/mL) Solubilité maximale: 74
• DMSO (mM) Solubilité maximale: 200.901341152196
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 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