CA-5f - 10mM in DMSO , CAS No.1370032-19-1

CAS: 1370032-19-1 Cat. No.: C421403 Formule: C₂₄H₂₄N₂O₃ Poids moléculaire: 388.46 PubChem CID: 57341148

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

CA-5f is a potent late-stage macroautophagy/autophagy inhibitor via inhibiting autophagosome-lysosome fusion.

Specifications

Spécifications et pureté

10mM in DMSO

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

INHIBITOR

Propriétés du produit

ALogP

4.168

Nombre de HBD

1

Liaison rotative

4

Noms et identifiants

Pubchem Sid

528763665

Sourires canoniques

CN1CC(=CC2=CC(=C(C=C2)OC)OC)C(=O)C(=CC3=CNC4=CC=CC=C43)C1

IUPAC Name

(3E,5E)-3-[(3,4-dimethoxyphenyl)methylidene]-5-(1H-indol-3-ylmethylidene)-1-methylpiperidin-4-one

InChIKey

JYOLPDWVAMBMQN-UBIAKTOFSA-N

INCHI

1S/C24H24N2O3/c1-26-14-18(10-16-8-9-22(28-2)23(11-16)29-3)24(27)19(15-26)12-17-13-25-21-7-5-4-6-20(17)21/h4-13,25H,14-15H2,1-3H3/b18-10+,19-12+

Isomères SMILES

CN1C/C(=C\C2=CC(=C(C=C2)OC)OC)/C(=O)/C(=C/C3=CNC4=CC=CC=C43)/C1

PubChem CID

57341148

Poids moléculaire

388.46

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Indoles Phenoxy compounds Anisoles Piperidinones Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Trialkylamines Cyclic ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dimethoxybenzene - O-dimethoxybenzene - Indole - Indole or derivatives - Anisole - Phenol ether - Phenoxy compound - Alkyl aryl ether - Piperidinone - Piperidine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Cyclic ketone - Ketone - Organoheterocyclic compound - Ether - Azacycle - Organic oxide - Organonitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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: 78
• DMSO (mM) Solubilité maximale: 200.792874427225
• Eau (mg/mL) Solubilité maximale: 1
• Eau (mM) Solubilité maximale: 2.57426762086186
• Poids moléculaire: 388.500 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 388.179 Da
• Monoisotopic Mass: 388.179 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 659.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1