Evodine - 10mM in DMSO , CAS No.6989-38-4

CAS: 6989-38-4 Cat. No.: E425587 분자식: C₁₈H₁₉NO₅ 분자량: 329.35

GRADE & PURITY 10mM in DMSO

Synonyms

3-​Buten-​2-​ol,1-​[(4,​8-​dimethoxyfuro[2,​3-​b]​quinolin-​7-​yl)​oxy]​-​3-​methyl-​,(-​)​-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Information

Evodine Evodine, a natural product extracted from Evodiae fructus (EF), is a biomarker for quality assessment of EF in the Chinese Pharmacopoeia. Evodine is a potent P-gp inhibitor.

Specifications

동의어

3-​Buten-​2-​ol,1-​[(4,​8-​dimethoxyfuro[2,​3-​b]​quinolin-​7-​yl)​oxy]​-​3-​methyl-​,(-​)​-

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

Evodine, a natural product extracted from Evodiae fructus (EF), is a biomarker for quality assessment of EF in the Chinese Pharmacopoeia. Evodine is a potent P-gp inhibitor.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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제품 특성

• ALogP: 3.022
• hba_count: 5
• HBD 수: 1
• 회전 가능한 결합: 6

이름과 식별자

• 정식 스마일: CC(=C)C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O
• IUPAC Name: 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbut-3-en-2-ol
• InChIKey: LNJTUUHDKCPQAA-UHFFFAOYSA-N
• INCHI: 1S/C18H19NO5/c1-10(2)13(20)9-24-14-6-5-11-15(17(14)22-4)19-18-12(7-8-23-18)16(11)21-3/h5-8,13,20H,1,9H2,2-4H3
• 이성체 SMILES: CC(=C)C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O
• 분자량: 329.35
• Reaxy-Rn: 574679
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=574679&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Quinolines and derivatives
      • Subclass Furanoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Furanoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Furanoquinolines
• Alternative Parents: Furopyridines Anisoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Furans Secondary alcohols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furanoquinoline - Furopyridine - Anisole - Alkyl aryl ether - Pyridine - Benzenoid - Furan - Heteroaromatic compound - Secondary alcohol - Oxacycle - Ether - Azacycle - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as furanoquinolines. These are compounds containing a furan ring fused to a quinoline.
• 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: 66
• DMSO(mM) 최대 용해도: 200.394716866555
• 물(mg/mL) 최대 용해도: -1
• 분자량: 329.300 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 329.126 Da
• Monoisotopic Mass: 329.126 Da
• Topological Polar Surface Area: 74.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 445.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6989-38-4, the molecular formula is C18H19NO5, and the molecular weight is 329.35 g/mol. InChIKey LNJTUUHDKCPQAA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.