Phellodendrine - 10mM in DMSO , CAS No.104112-82-5

CAS: 104112-82-5 Cat. No.: P420445 분자식: C₂₀H₂₄ClNO₄ 분자량: 377.86 EC 번호: 110-086-2 PubChem CID: 59818

등급 & 순도 10mM in DMSO

Synonyms

(12BS)-2,11-DIHYDROXY-3,10-DIMETHOXY-6-METHYL-5,6,7,8,12B,13-HEXAHYDRO-6-AZATETRAPHEN-6-IUM CHLORIDE|l-(-)-N-Methylcoreximine|Phellodendrine HCl|13a-alpha-BERBINIUM, 2,11-DIHYDROXY-3,10-DIMETHOXY-7-METHYL-, CHLORIDE|Phellodendrine chloride|Phellodendrine-chloride|(13aS)-2,11-dihydroxy-3,10-dimethoxy-7-methyl-5,6,7,8,13,13a-hexahydroisoquinolino[3,2-a]isoquinolin-7-ium chloride|Phellodendrine Hydrochloride|(13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol;chloride

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Phellodendrine chloride, isolated from the Phellodrndron amurensis, exhibits immunosuppressive and anti-inflammatory activities.
Store at +4°C. The product can be stored for up to 12 months.

사양

동의어

(12BS)-2,11-DIHYDROXY-3,10-DIMETHOXY-6-METHYL-5,6,7,8,12B,13-HEXAHYDRO-6-AZATETRAPHEN-6-IUM CHLORIDE | l-(-)-N-Methylcoreximine | Phellodendrine HCl | 13a-alpha-BERBINIUM, 2,11-DIHYDROXY-3,10-DIMETHOXY-7-METHYL-, CHLORIDE | Phellodendrine chloride | Phellodendrine-chloride | (13aS)-2,11-dihydroxy-3,10-dimethoxy-7-methyl-5,6,7,8,13,13a-hex Show more

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

Immunosuppressant and anti-inflammatory agent. Suppresses local semisyngeneic GvH reactions and systemic allogeneic GvH reactions. Active in vivo.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528776698

정식 스마일

C[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C4C2)OC)O)O)OC.[Cl-]

IUPAC Name

(13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol;chloride

InChIKey

DGLDSNPMIYUWGN-OOJQBDKLSA-N

INCHI

1S/C20H23NO4.ClH/c1-21-5-4-12-8-19(24-2)18(23)10-15(12)16(21)6-13-7-17(22)20(25-3)9-14(13)11-21;/h7-10,16H,4-6,11H2,1-3H3,(H-,22,23);1H/t16-,21?;/m0./s1

이성체 SMILES

C[N+]12CCC3=CC(=C(C=C3[C@@H]1CC4=CC(=C(C=C4C2)OC)O)O)OC.[Cl-]

PubChem CID

59818

분자량

377.86

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: Tetrahydroisoquinolines Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Tetraalkylammonium salts Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Protoberberine skeleton - Tetrahydroprotoberberine skeleton - Tetrahydroisoquinoline - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - 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: 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

• 분자량: 377.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 377.139 Da
• Monoisotopic Mass: 377.139 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 488.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 2

XLogP3