(-)-Bicuculline methochloride - ≥99% , CAS No.53552-05-9

CAS: 53552-05-9 Cat. No.: B275243 分子式: C₂₁H₂₀ClNO₆ 分子量: 417.84 EC番号: 688-996-9

グレード＆純度 ≥99%

Synonyms

d-Bicuculline (methochloride) | (a^?-Bicuculline methochloride | (6S)-6-[(5R)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;chloride | HY-100783A | (R)-6,6-dimethyl-5-((S)-8-oxo-6,8-dihydroisob

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

概要

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

仕様

同義語

d-Bicuculline (methochloride) | (a^?-Bicuculline methochloride | (6S)-6-[(5R)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;chloride | HY-100783A | (R)-6,6-dimethyl-5-((S)-8-oxo-6,8-dihydroisob

仕様と純度

≥99%

生化学的・生理学的メカニズム

Water-soluble GABA A antagonist. Methochloride salt of (+)-bicuculline . Actions on neuronal Ca 2+ -activated K + channels reported. Also available in simple stock solutions add 1 ml of water to get an exact, ready-to-use concen

保管条件

Store at 2-8°C,Desiccated

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。

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥99%

名前と識別子

カノニカル・スマイル

C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[Cl-]

IUPAC Name

(6S)-6-[(5R)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;chloride

InChIKey

RLJKFAMYSYWMND-VOMIJIAVSA-M

INCHI

1S/C21H20NO6.ClH/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19;/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3;1H/q+1;/p-1/t18-,19+;/m1./s1

異性体SMILES

C[N+]1(CCC2=CC3=C(C=C2[C@@H]1[C@@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[Cl-]

分子量

417.84

Reaxy-Rn

56500888

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56500888&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • 分類 Phthalide isoquinolines

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 分類: Phthalide isoquinolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalide isoquinolines
• Alternative Parents: Tetrahydroisoquinolines Phthalides Benzofuranones Benzodioxoles Aralkylamines Benzenoids Tetraalkylammonium salts Carboxylic acid esters Lactones Acetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organic chloride salts Hydrocarbon derivatives Organopnictogen compounds Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalide isoquinoline - Benzofuranone - Isobenzofuranone - Phthalide - Tetrahydroisoquinoline - Benzodioxole - Isocoumaran - Aralkylamine - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Lactone - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organic chloride salt - Amine - Organic salt - Organic cation - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phthalide isoquinolines. These are organic compounds with a structure characterized by an isoquinoline moiety linked to phthalide.
• 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

• 溶解度: Soluble in water to 100 mM
• 分子量: 417.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 417.098 Da
• Monoisotopic Mass: 417.098 Da
• Topological Polar Surface Area: 63.200 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 655.000
• 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: 2

XLogP3