Myrislignan - 10mM in DMSO , CAS No.171485-39-5

CAS: 171485-39-5 Cat. No.: M422113 Fórmula: C₂₁H₂₆O₆ Peso molecular: 374.43

GRADE & PURITY 10mM in DMSO

Synonyms

Q-100206 | 4-((1R,2S)-2-(4-Allyl-2,6-dimethoxyphenoxy)-1-hydroxypropyl)-2-methoxyphenol | AC-34668 | FT-0688337 | HY-N0608 | AS-77374 | s3261 | BDBM50242967 | MFCD13195532 | Myrislignan | AKOS015909818 | (aR)-alpha-[(1S)-1-[2,6-Dimethoxy-4-(2-propen-1-yl)

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Information

Myrislignan, a lignan isolated fromMyristica fragrans Houtt, possesses anti-inflammatory activities. Myrislignan inhibitsinterleukin-6 (IL-6)andtumour necrosis factor-α (TNF-α). Myrislignan significantly inhibits the expressions ofinducible NO synthase (iNOS)andcyclooxygenase-2 (COX-2)dose-dependently in LPS-stimulated macrophage cells. Myrislignan inhibits theNF-κBsignalling pathway activation.

Targets

IL-6 ; TNF-α ; iNOS ; COX-2 ; NF-κB

Specifications

Sinónimos

Q-100206 | 4-((1R,2S)-2-(4-Allyl-2,6-dimethoxyphenoxy)-1-hydroxypropyl)-2-methoxyphenol | AC-34668 | FT-0688337 | HY-N0608 | AS-77374 | s3261 | BDBM50242967 | MFCD13195532 | Myrislignan | AKOS015909818 | (aR)-alpha-[(1S)-1-[2,6-Dimethoxy-4-(2-propen-1-yl)

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

Myrislignan, a lignan isolated from Myristica fragrans Houtt, possesses anti-inflammatory activities. Myrislignan inhibits interleukin-6 (IL-6) and tumour necrosis factor-α (TNF-α). Myrislignan significantly inhibits the expressions of inducible NO syntha

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Propriedades do produto

• ALogP: 3.98
• hba_count: 4
• Contagem HBD: 2
• Ligação rotativa: 9

Nomes e identificadores

• Pubchem Sid: 528774922
• Sorrisos canónicos: CC(C(C1=CC(=C(C=C1)O)OC)O)OC2=C(C=C(C=C2OC)CC=C)OC
• IUPAC Name: 4-[(1R,2S)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-hydroxypropyl]-2-methoxyphenol
• InChIKey: ULZFTGWWPHYLGI-RBZFPXEDSA-N
• INCHI: 1S/C21H26O6/c1-6-7-14-10-18(25-4)21(19(11-14)26-5)27-13(2)20(23)15-8-9-16(22)17(12-15)24-3/h6,8-13,20,22-23H,1,7H2,2-5H3/t13-,20-/m0/s1
• SMILES isoméricas: C[C@@H]([C@@H](C1=CC(=C(C=C1)O)OC)O)OC2=C(C=C(C=C2OC)CC=C)OC
• Peso molecular: 374.43
• Reaxy-Rn: 2019083
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2019083&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Classe: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Lignans, neolignans and related compounds
• Alternative Parents: Methoxyphenols Dimethoxybenzenes Phenylpropanes Phenoxy compounds Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Neolignan skeleton - Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Phenylpropane - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Ether - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed.
• 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

Alvos associados (não humanos)

Toxoplasma gondii (4585 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• DMSO (mg/mL) Solubilidade máxima: 100
• DMSO (mM) Solubilidade máxima: 267.072617044574
• Água (mg/mL) Solubilidade máxima: -1
• Peso molecular: 374.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 374.173 Da
• Monoisotopic Mass: 374.173 Da
• Topological Polar Surface Area: 77.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 430.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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