CA-5f - ≥98% , CAS No.1370032-19-1

CAS: 1370032-19-1 Cat. No.: C418542 분자식: C₂₄H₂₄N₂O₃ 분자량: 388.46 PubChem CID: 57341148

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

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

Specifications

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

제품 특성

• ALogP: 4.168
• HBD 수: 1
• 회전 가능한 결합: 4

이름과 식별자

• Pubchem Sid: 504771554
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771554
• 정식 스마일: 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+
• 이성체 SMILES: CN1C/C(=C\C2=CC(=C(C=C2)OC)OC)/C(=O)/C(=C/C3=CNC4=CC=CC=C43)/C1
• PubChem CID: 57341148
• 분자량: 388.46

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• DMSO(mg/mL) 최대 용해도: 78
• DMSO(mM) 최대 용해도: 200.792874427225
• 물(mg/mL) 최대 용해도: 1
• 물(mM) 최대 용해도: 2.57426762086186
• 분자량: 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