Edpetiline - Moligand™,≥98% , CAS No.32685-93-1

CAS: 32685-93-1 Cat. No.: E412640 分子式: C₃₃H₅₃NO₈ 分子量: 591.78

GRADE & PURITY Moligand™, ≥98%

Synonyms

Sipeimine-3b-D-glucoside | Q27277798 | Sipeimine-3beta-D-glucoside | AKOS032946065 | Edpetiline | Verticinone 3-beta-D-glucoside | (1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10-hydroxy-6,10,23-trimethyl-20-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxy

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

概要

Edpetiline is an anti-inflammatory agent. Edpetiline inhibits the phosphorylation of IκB, nuclear transcription/translocation of NF-κB p65, as well as the phosphorylation of p38 MAPK and ERK MAPK. Edpetiline reduces intracellular ROS levels, inhibits the expression of TNF-α, IL-6, iNOS, COX-2, and promotes the expression of IL-4. Edpetiline is applicable to the research of diseases associated with inflammation and oxidative stress.

Information

Edpetiline, a principal alkaloid from P. eduardi, has significant antiinflammatory effects.

Specifications

同義語

Sipeimine-3b-D-glucoside | Q27277798 | Sipeimine-3beta-D-glucoside | AKOS032946065 | Edpetiline | Verticinone 3-beta-D-glucoside | (1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10-hydroxy-6,10,23-trimethyl-20-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxy

仕様と純度

Moligand™,≥98%

生化学的・生理学的メカニズム

Edpetiline, a principal alkaloid from P. eduardi, has significant antiinflammatory effects.

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

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。

等級

Moligand™

純度

≥98%

名前と識別子

カノニカル・スマイル

CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)(C)O

IUPAC Name

(1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10-hydroxy-6,10,23-trimethyl-20-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one

InChIKey

DHQFYEJMFMYGCV-RRIRULBESA-N

INCHI

1S/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22-,23-,24+,26+,27-,28+,29-,30+,31+,32+,33-/m0/s1

異性体SMILES

C[C@H]1CC[C@H]2[C@@]([C@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)(C)O

分子量

591.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Steroids and steroid derivatives
      • Subclass Steroidal glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Steroids and steroid derivatives
• Subclass: Steroidal glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroidal saponins
• Alternative Parents: Diterpene glycosides Cerveratrum-type alkaloids Azasteroids and derivatives Diterpenoids Hexoses O-glycosyl compounds Quinolizidines Alkaloids and derivatives Piperidines Oxanes Tertiary alcohols 1,2-aminoalcohols Ketones Secondary alcohols Trialkylamines Oxacyclic compounds Polyols Acetals Azacyclic compounds Primary alcohols Hydrocarbon derivatives Aldehydes Organic oxides Organopnictogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Steroidal saponin - Diterpene glycoside - Cerveratrum-type alkaloid - Diterpenoid - Steroidal alkaloid - Azasteroid - Terpene glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Quinolizidine - Alkaloid or derivatives - Monosaccharide - Oxane - Piperidine - Tertiary alcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Ketone - 1,2-aminoalcohol - Organoheterocyclic compound - Polyol - Oxacycle - Acetal - Azacycle - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alcohol - Aldehyde - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative.
• 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

• 感度: light sensitive; Moisture sensitive
• 分子量: 591.800 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 591.377 Da
• Monoisotopic Mass: 591.377 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1040.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 17
• 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