Picrotin - Moligand™, ≥97% , Channel blocker of glycine receptor α1 subunit;Channel blocker of glycine receptor α2 subunit;Channel blocker of glycine receptor α3 subunit;Channel blocker of glycine receptor β subunit, CAS No.21416-53-5, Channel blocker of glycine receptor α1 subunit;Channel blocker of glycine receptor α2 subunit;Channel blocker of glycine receptor α3 subunit;Channel blocker of glycine receptor β subunit

CAS: 21416-53-5 Cat. No.: P357571 Fórmula: C₁₅H₁₈O₇ Peso molecular: 310.3 PubChem CID: 442291

GRADE & PURITY Moligand™, ≥97%

Synonyms

NCGC00142523-02 | GTPL4286 | KBioSS_000893 | NSC-129536 | (1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1(9,12).0(3,5).0(5,13)]tetradecane-6,11-dione | BSPBio_001885 | PICROTIN [MI] | Spectrum_000

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Product description

Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission.

Specifications

Sinónimos

NCGC00142523-02 | GTPL4286 | KBioSS_000893 | NSC-129536 | (1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1(9,12).0(3,5).0(5,13)]tetradecane-6,11-dione | BSPBio_001885 | PICROTIN [MI] | Spectrum_000

Especificações e pureza

Moligand™, ≥97%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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 glycine receptor α1 subunit;Channel blocker of glycine receptor α2 subunit;Channel blocker of glycine receptor α3 subunit;Channel blocker of glycine receptor β subunit

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 528775209
• Sorrisos canónicos: CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O
• IUPAC Name: (1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
• InChIKey: RYEFFICCPKWYML-QCGISDTRSA-N
• INCHI: 1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1
• SMILES isoméricas: C[C@@]12[C@H]3[C@H]4[C@H]([C@@H]([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O
• PubChem CID: 442291
• Peso molecular: 310.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Furopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Furopyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Furopyrans
• Alternative Parents: Oxepanes Dicarboxylic acids and derivatives Gamma butyrolactones Oxanes Pyrans Furans Tetrahydrofurans Tertiary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Furopyran - Caprolactone - Oxepane - Dicarboxylic acid or derivatives - Gamma butyrolactone - Oxane - Pyran - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Furan - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.
• External Descriptors: Sesquiterpenoids (C15)

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)

GLRA2 Tchem Glycine receptor subunit alpha-2 (1 Activities)

Discover Target: GLRA2

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

GLRA1 Tclin Glycine receptor subunit alpha-1 (1 Activities)

Discover Target: GLRA1

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

GLRA3 Tchem Glycine receptor subunit alpha-3 (1 Activities)

Discover Target: GLRA3

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

GLRB Tclin Glycine receptor subunit beta (2 Activities)

Discover Target: GLRB

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

Alvos associados (não humanos)

Glra2 Glycine receptor subunit alpha-2 (32 Activities)

Discover Target: Glra2

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

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 310.300 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 310.105 Da
• Monoisotopic Mass: 310.105 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 644.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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