96548-65-1

Basic information

• Product Name: BUTANEDIOIC ACID, (1,3-BENZODIOXOL-5-YLMETHYL)-, 1-METHYL ESTER
• Synonyms: BUTANEDIOIC ACID, (1,3-BENZODIOXOL-5-YLMETHYL)-, 1-METHYL ESTER
• CAS NO: 96548-65-1
• Molecular Formula: C₁₃H₁₄O₆
• Molecular Weight: 266.25
• Mol File: 96548-65-1.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 428.7°C at 760 mmHg
• Flash Point: 163.4°C
• Appearance: /
• Density: 1.345g/cm³
• Vapor Pressure: 4.12E-08mmHg at 25°C
• Refractive Index: 1.557
• CAS DataBase Reference: BUTANEDIOIC ACID, (1,3-BENZODIOXOL-5-YLMETHYL)-, 1-METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: BUTANEDIOIC ACID, (1,3-BENZODIOXOL-5-YLMETHYL)-, 1-METHYL ESTER(96548-65-1)
• EPA Substance Registry System: BUTANEDIOIC ACID, (1,3-BENZODIOXOL-5-YLMETHYL)-, 1-METHYL ESTER(96548-65-1)

Safety Data

• Hazardous Substances Data: 96548-65-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H14O6/c1-17-13(16)9(6-12(14)15)4-8-2-3-10-11(5-8)19-7-18-10/h2-3,5,9H,4,6-7H2,1H3,(H,14,15)

Upstream product

• 106-65-0 Dimethyl succinate 
• 120-57-0 piperonal 
• 57367-54-1 4-methoxy-4-oxo-3-(triphenylphosphoranylidene)butanoic acid 
• 84736-28-7 (methylenedioxy-3,4 benzylidene) α-hemisuccinate de methyle 
• 70381-90-7 (S)-(-)-α-(methylenedioxy-3,4 benzyl)hemisuccinate de methyle 
• 15930-53-7 6-bromo-3,4-methylenedioxybenzaldehyde 
• 70381-89-4 methyl hydrogen (E)-2-<3,4-(methylenedioxy)benzylidene>succinate 

Downstream Products

• 108146-55-0 (E)-3-(3,4,5-trimethoxybenzylidene)-4-((benzo-[d][1,3]dioxol-5-yl)methyl)dihydrofuran-2(3H)-one 
• 144539-72-0 4-Benzo[1,3]dioxol-5-ylmethyl-3-[hydroxy-(3,4,5-trimethoxy-phenyl)-methyl]-dihydro-furan-2-one 
• 28115-68-6 (+/-)-pluviatolide 
• 84755-36-2 2-(4-benzyloxy-3-methyoxybenzyl)-3-(3,4-methylenedioxybenzyl)-γ-butyrolactone 
• 123251-04-7 <(dimethyl tertio-butylsiloxy-4 methoxy-3 phenyl)hydroxymethyl>-2 (methylenedioxy-3,4 benzyl)-3 butanolide-4 
• 123251-04-7 <(dimethyl tertio-butylsiloxy-4 methoxy-3 phenyl)hydroxymethyl>-2 (methylenedioxy-3,4 benzyl)-3 butanolide-4 
• 69998-62-5 <(butanolidyl-4)-3 methyl>-2 formyl-6' methylenedioxy-4,5 trimethoxy-2',3',4' biphenyle 
• 17187-82-5 (-)-6-epi-podorhizol 

Relevant articles and documents

Reaction Mechanism of a Nonheme Iron Enzyme Catalyzed Oxidative Cyclization via C-C Bond Formation

A complementary study including design of mechanistic probes, biochemical assays, model analysis, and liquid chromatography coupled mass spectrometry was conducted to establish the reaction mechanism for a nonheme iron enzyme catalyzed (?)-podophyllotoxin

Affinity-Driven Covalent Modulator of the Glyceraldehyde-3-Phosphate Dehydrogenase (GAPDH) Cascade

Traditional medicines provide a fertile ground to explore potent lead compounds, yet their transformation into modern drugs is fraught with challenges in deciphering the target that is mechanistically valid for its biological activity. Herein we reveal that (Z)-(+)-isochaihulactone (1) exhibited significant inhibition against multiple-drug-resistant (MDR) cancer cell lines and mice xenografts. NMR spectroscopy showed that 1 resisted an off-target thiolate, thus indicating that 1 was a target covalent inhibitor (TCI). By identifying the pharmacophore of 1 (α,β-unsaturated moiety), a probe derived from 1 was designed and synthesized for TCI-oriented activity-based proteome profiling. By MS/MS and computer-guided molecular biology approaches, an affinity-driven Michael addition of the noncatalytic C247 residue of GAPDH was found to control the “ON/OFF” switch of apoptosis through non-canonically nuclear GAPDH translocation, which bypasses the common apoptosis-resistant route of MDR cancers.

PROCESS TO OBTAIN SYNTHETIC AND SEMI-SYNTHETIC LIGNAN DERIVATIVES, THEIR ANTIPARASITIC ACTIVITIES AND CORRESPONDING PHARMACEUTICAL FORMULATIONS, INCLUDING THE THERAPEUTIC METHOD USING SAID LIGNAN FOR THE TREATMENT OF PARASITOSIS

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