2,4-Diethylpyridine dicarboxylate - ≥98% , CAS No.41438-38-4

CAS: 41438-38-4 Cat. No.: D339113 Molecular Weight: 223.2 EC Number: 680-341-5

GRADE & PURITY ≥98%

Synonyms

EC 680-341-5 | 2,4-PDC diethyl ester | SR-01000946602-1 | 2,4-Pyridinedicarboxylic acid, 2,4-diethyl ester | D5518 | AKOS015969378 | D2113 | SCHEMBL930636 | CCG-208667 | diethyl 2,4-pyridinedicarboxylate | HY-W025062 | UNII-4SN4572M5S | 4SN4572M5S | Q2726

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product description：

Diethyl pyridine-2,4-dicarboxylate is a potent prolyl 4-hydroxylase-directed proinhibitor. Diethyl pyridine-2,4-dicarb inhibits prolyl hydroxylation and procollagen processing in chick-embryo calvaria.

Specifications

Synonyms

EC 680-341-5 | 2, 4-PDC diethyl ester | SR-01000946602-1 | 2, 4-Pyridinedicarboxylic acid, 2, 4-diethyl ester | D5518 | AKOS015969378 | D2113 | SCHEMBL930636 | CCG-208667 | diethyl 2, 4-pyridinedicarboxylate | HY-W025062 | UNII-4SN4572M5S | 4SN4572M5S | Q2726

Specifications & Purity

≥98%

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.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488188451
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188451
• Canonical Smiles: CCOC(=O)C1=CC(=NC=C1)C(=O)OCC
• IUPAC Name: diethyl pyridine-2,4-dicarboxylate
• InChIKey: MUUDQLHCIAOWPR-UHFFFAOYSA-N
• INCHI: 1S/C11H13NO4/c1-3-15-10(13)8-5-6-12-9(7-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
• Isomeric SMILES: CCOC(=O)C1=CC(=NC=C1)C(=O)OCC
• Molecular Weight: 223.2
• Reaxy-Rn: 188621
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=188621&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• 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 water (1 mg/ml at 25° C), ethanol (~50 mg/ml), DMSO (~20 mg/ml), DMF (~30 mg/ml), and PBS pH7.2, sol (~1 mg/ml).
• Sensitivity: air sensitive
• Refractive Index: n20D1.51 (Predicted)
• Boil Point(°C): 180 °C/14 mmHg
• Molecular Weight: 223.220 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 223.084 Da
• Monoisotopic Mass: 223.084 Da
• Topological Polar Surface Area: 65.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 254.000
• 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