Verbascoside - Moligand™, 10mM in DMSO , Channel blocker of TRPV3, CAS No.61276-17-3, Channel blocker of TRPV3

CAS: 61276-17-3 Cat. No.: V425072 Fórmula: C₂₉H₃₆O₁₅ Peso molecular: 624.59 Número CE: 612-110-1 PubChem CID: 5281800

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

Acteoside|Verbascoside|Kusaginin|61276-17-3|TJC 160|acetoside|Verbacoside|NSC 603831|TJC-160|UNII-3TGX09BD5B|3TGX09BD5B|RUSSETINOL|STEREOSPERMIN|CHEBI:132853|NSC-603831|VERBASCOSIDE (USP-RS)|VERBASCOSIDE [USP-RS]|(2R,3R,4R,5R,6R)-6-(3,4-Dihydroxyphenethox

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Antioxidant and antiproliferative. Phenylethanoid glycoside.

Specifications

Sinónimos

Acteoside | Verbascoside | Kusaginin | 61276-17-3 | TJC 160 | acetoside | Verbacoside | NSC 603831 | TJC-160 | UNII-3TGX09BD5B | 3TGX09BD5B | RUSSETINOL | STEREOSPERMIN | CHEBI:132853 | NSC-603831 | VERBASCOSIDE (USP-RS) | VERBASCOSIDE [USP-RS] | (2R,3R,4R,5R,6R)-6-(3,4-Dihydroxyphenethox

Especificações e pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos e fisiológicos

PKC inhibitor. NF-κB inhibitor. Increases PARP-1 and p53. Induces cell cycle arrest and differentiation. Inhibits MMP (IC 50 = 32 μM). Shows anti-inflammatory, antinociceptive and antioxidant effects in vivo. Orally active.

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.

Grau

Moligand™

Tipo de ação

CHANNEL BLOCKER

Mecanismo de ação

Channel blocker of TRPV3

Nomes e identificadores

Pubchem Sid

528772365

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528772365

Sorrisos canónicos

CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O

IUPAC Name

[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

InChIKey

FBSKJMQYURKNSU-ZLSOWSIRSA-N

INCHI

1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1

SMILES isoméricas

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O

WGK Alemanha

2

RTECS

LZ5786000

PubChem CID

5281800

Peso molecular

624.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumaric acids and derivatives
• Alternative Parents: Cinnamic acid esters O-glycosyl compounds Disaccharides Tyrosols and derivatives Styrenes Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Oxanes Enoate esters Secondary alcohols Polyols Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Coumaric acid or derivatives - Cinnamic acid ester - Disaccharide - Glycosyl compound - O-glycosyl compound - Tyrosol derivative - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Monocyclic benzene moiety - Fatty acyl - Oxane - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Polyol - Acetal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Primary alcohol - Alcohol - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
• External Descriptors: hydroxycinnamic acid

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 (humanos)

TRPV3 Tchem Transient receptor potential cation channel subfamily V member 3 (0 Activities)

Discover Target: TRPV3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propriedades químicas e físicas

• Sensibilidade: Hygroscopic,Heat Sensitive
• Rotação específica [α]: -92° (C=0.1,MeOH)
• Peso molecular: 624.600 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 11
• Exact Mass: 624.205 Da
• Monoisotopic Mass: 624.205 Da
• Topological Polar Surface Area: 245.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 936.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1