Kobusin - Moligand™,≥98% , CAS No.36150-23-9

CAS: 36150-23-9 Cat. No.: K646346 Molecular Weight: 370.40

GRADE & PURITY Moligand™, ≥98%

Synonyms

(+)-Spinescin | ACon1_001273 | kobusin | Methylpiperitol | (3abeta,6abeta)-1beta-(3,4-Dimethoxyphenyl)-4beta-(1,3-benzodioxole-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan | 1,3-BENZODIOXOLE, 5-((1S,3AR,4S,6AR)-4-(3,4-DIMETHOXYPHENYL)TETRAHYDRO-1H,3H-FURO(3,4-C

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Kobusin is a bisepoxylignan isolated from the Pnonobio biondii Pamp. Kobusin is an activator of CFTR and CaCCgie chloride channels and a inhibitor of ANO1/CaCC (calcium-activated chloride channel) channel.

In Vitro

Kobusin could activate the function of CFTR and CaCCgie (CaCC expressed in gastrointestinal epithelial cells) chloride channels. Notably, Kobusin could inhibit the activities ANO1/CaCC chloride channel in ANO1/CaCC-expressing FRT cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

In charcoal transit study, Kobusin mildly reduced gastrointestinal motility in mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Specifications

Synonyms

(+)-Spinescin | ACon1_001273 | kobusin | Methylpiperitol | (3abeta, 6abeta)-1beta-(3, 4-Dimethoxyphenyl)-4beta-(1, 3-benzodioxole-5-yl)tetrahydro-1H, 3H-furo[3, 4-c]furan | 1, 3-BENZODIOXOLE, 5-((1S, 3AR, 4S, 6AR)-4-(3, 4-DIMETHOXYPHENYL)TETRAHYDRO-1H, 3H-FURO(3, 4-C

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Kobusin is a bisepoxylignan isolated from the Pnonobio biondii Pamp . Kobusin is an activator of CFTR and CaCCgie chloride channels and a inhibitor of ANO1/CaCC (calcium-activated chloride channel) channel.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ACTIVATOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)OC
• IUPAC Name: 5-[(3S,3aR,6S,6aR)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole
• InChIKey: AWOGQCSIVCQXBT-VUEDXXQZSA-N
• INCHI: 1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20+,21+/m0/s1
• Isomeric SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC5=C(C=C4)OCO5)OC
• Alternate CAS: 31008-19-2
• Molecular Weight: 370.40
• Reaxy-Rn: 1629676
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1629676&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • Class Furanoid lignans

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Class: Furanoid lignans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Furanoid lignans
• Alternative Parents: Furofuran lignans Dimethoxybenzenes Benzodioxoles Phenoxy compounds Furofurans Anisoles Alkyl aryl ethers Tetrahydrofurans Oxacyclic compounds Dialkyl ethers Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furanoid lignan - Furofuran lignan skeleton - Dimethoxybenzene - O-dimethoxybenzene - Benzodioxole - Methoxybenzene - Anisole - Phenoxy compound - Furofuran - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tetrahydrofuran - Ether - Dialkyl ether - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light & Moisture sensitive
• Molecular Weight: 370.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 370.142 Da
• Monoisotopic Mass: 370.142 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 515.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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