7-BIA - ≥98% , CAS No.1313403-49-4

CAS: 1313403-49-4 Cat. No.: B646782 Molecular Weight: 294.30 PubChem CID: 137321149

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

7-BIA is a receptor-type protein tyrosine phosphatase D (PTPRD) inhibitor with an IC 50 of ~1-3 μM

In Vitro

7-BIA (7-butoxy illudalic acid analog) inhibits recombinant human PTPRD and recombinant human PTPRS with IC 50 values of ~1–3 μM and 40 μM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

7-BIA (10-20 mg/kg; given i.p.; only once) reduces cocaine self-administration in highly experienced WT mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: WT mice (available cocaine 50 times, 1 mg/kg infusions on FR1 schedule during ≥20 prior sessions) Dosage: 10 mg/kg, 20 mg/kg Administration: Given i.p.; only once Result: Reduced cocaine self-administration in highly experienced WT mice.

Form:Solid

IC50& Target:IC50: ~1-3 μM (PTPRD), 40 μM (PTPRS)

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

7-BIA is a receptor-type protein tyrosine phosphatase D (PTPRD) inhibitor with an IC 50 of ~1-3 μM.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCOC1=C(C(=C2CC(OC(=O)C2=C1)O)C=O)OC
• IUPAC Name: 7-butoxy-3-hydroxy-6-methoxy-1-oxo-3,4-dihydroisochromene-5-carbaldehyde
• InChIKey: DAVCIYWSVYDJKW-UHFFFAOYSA-N
• INCHI: 1S/C15H18O6/c1-3-4-5-20-12-6-10-9(7-13(17)21-15(10)18)11(8-16)14(12)19-2/h6,8,13,17H,3-5,7H2,1-2H3
• PubChem CID: 137321149
• Molecular Weight: 294.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 2-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 2-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-benzopyrans
• Alternative Parents: Anisoles Aryl-aldehydes Alkyl aryl ethers Lactones Hemiacetals Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-benzopyran - Anisole - Aryl-aldehyde - Alkyl aryl ether - Benzenoid - Lactone - Hemiacetal - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 125 mg/mL (424.74 mM; Need ultrasonic) Ethanol : 50 mg/mL (169.89 mM; Need ultrasonic)