CA-5f - ≥98% , CAS No.1370032-19-1

CAS: 1370032-19-1 Cat. No.: C418542 分子式: C₂₄H₂₄N₂O₃ 分子量: 388.46 PubChem CID: 57341148

グレード＆純度 ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

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

仕様

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

製品の性質

ALogP

4.168

HBD数

1

回転可能な結合

4

名前と識別子

パブケム・シド

504771554

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504771554

カノニカル・スマイル

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+

異性体SMILES

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

PubChem CID

57341148

分子量

388.46

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• DMSO（mg / mL） 最大溶解度: 78
• DMSO（mM） 最大溶解度: 200.792874427225
• 水（mg / mL） 最大溶解度: 1
• 水（mM） 最大溶解度: 2.57426762086186
• 分子量: 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