dimethyl dicarbonate - for histidine methylation , CAS No.4525-33-1

CAS: 4525-33-1 Cat. No.: D135145 Molecular Weight: 134.09 Beilstein Registry Number: 956715 EC Number: 224-859-8

GRADE & PURITY for histidine methylation

Synonyms

DMPC | GZDFHIJNHHMENY-UHFFFAOYSA-N | Dicarbonic acid, dimethyl ester | dimethyl dicarbonate | Pyrocarbonic acid dimethyl ester | E-242 | Formic acid, oxydi-, dimethyl ester | Methyl pyrocarbonate | MFCD00008419 | SY274597 | Velcorin | 1AY9229ZMG | Dimethy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

A histidine methylator.

Specifications

Synonyms

DMPC | GZDFHIJNHHMENY-UHFFFAOYSA-N | Dicarbonic acid, dimethyl ester | dimethyl dicarbonate | Pyrocarbonic acid dimethyl ester | E-242 | Formic acid, oxydi-, dimethyl ester | Methyl pyrocarbonate | MFCD00008419 | SY274597 | Velcorin | 1AY9229ZMG | Dimethy

Specifications & Purity

for histidine methylation

Biochemical and Physiological Mechanisms

Dimethyl dicarbonate methylates histidine residues at the active site of PEP carboxykinase, resulting in a partially reversible inhibition.

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Names and Identifiers

• Canonical Smiles: COC(=O)OC(=O)OC
• IUPAC Name: methoxycarbonyl methyl carbonate
• InChIKey: GZDFHIJNHHMENY-UHFFFAOYSA-N
• INCHI: 1S/C4H6O5/c1-7-3(5)9-4(6)8-2/h1-2H3
• Isomeric SMILES: COC(=O)OC(=O)OC
• WGK Germany: 3
• RTECS: HT0362500
• UN Number: 2927
• Packing Group: II
• Molecular Weight: 134.09
• Beilstein: 956715
• Reaxy-Rn: 956715
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956715&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids and derivatives
• Alternative Parents: Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic carbonic acids and derivatives. These are compounds comprising the organic carbonic acid or a derivative thereof.
• 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: Soluble in chloroform, a little soluble in ethyl acetate
• Sensitivity: Moisture sensitive
• Flash Point(°F): 176 °F
• Flash Point(°C): 80 °C
• Boil Point(°C): 172℃
• Melt Point(°C): 15-17 °C
• Molecular Weight: 134.090 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 134.022 Da
• Monoisotopic Mass: 134.022 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 104.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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