Dehydrocorydalin - ≥98% , CAS No.30045-16-0

CAS: 30045-16-0 Cat. No.: D418600 분자식: C₂₂H₂₄NO₄ 분자량: 366.43

등급 & 순도 ≥98%

Synonyms

s9431 | CHEBI:81342 | BDBM50594956 | C17790 | CCG-268242 | AC-34813 | DTXSID30904183 | Dehydrocorydalin | HY-N0674 | 7,8,13,13a-Tetradehydro-2,3,9,10-tetramethoxy-13-methylberbinium | Dibenzo[a,g]quinolizinium,5,6-dihydro-2,3,9,10-tetramethoxy-13-methyl-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Dehydrocorydaline (13-Methylpalmatine) is an alkaloid that regulates protein expression of Bax, Bcl-2; activates caspase-7, caspase-8, and inactivates PARP. Dehydrocorydaline elevates p38 MAPK activation. Anti-inflammatory and anti-cancer activities. Dehydrocorydaline shows strong anti-malarial effects (IC50=38 nM), and low cytotoxicity (cell viability > 90%) using P. falciparum 3D7 strain.

사양

동의어

s9431 | CHEBI:81342 | BDBM50594956 | C17790 | CCG-268242 | AC-34813 | DTXSID30904183 | Dehydrocorydalin | HY-N0674 | 7,8,13,13a-Tetradehydro-2,3,9,10-tetramethoxy-13-methylberbinium | Dibenzo[a,g]quinolizinium,5,6-dihydro-2,3,9,10-tetramethoxy-13-methyl-

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

504753537

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753537

정식 스마일

CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC

IUPAC Name

2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

InChIKey

RFKQJTRWODZPHF-UHFFFAOYSA-N

INCHI

1S/C22H24NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-12H,8-9H2,1-5H3/q+1

이성체 SMILES

CC1=C2C=CC(=C(C2=C[N+]3=C1C4=CC(=C(C=C4CC3)OC)OC)OC)OC

분자량

366.43

Reaxy-Rn

1556798

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1556798&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • 분류 Protoberberine alkaloids and derivatives

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 분류: Protoberberine alkaloids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Protoberberine alkaloids and derivatives
• Alternative Parents: Isoquinolines and derivatives Anisoles Methylpyridines Alkyl aryl ethers Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Protoberberine skeleton - Isoquinoline - Anisole - Alkyl aryl ether - Methylpyridine - Benzenoid - Pyridinium - Pyridine - Heteroaromatic compound - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic cation - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton.
• External Descriptors: alkaloid

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

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO: 66 mg/mL(180.1 mM) Chloroform, Dichloromethane, Ethyl Acetate, Acetone, etc.: Soluble
• 분자량: 366.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 366.171 Da
• Monoisotopic Mass: 366.171 Da
• Topological Polar Surface Area: 40.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 1
• Complexity: 503.000
• 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