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

CAS: 41438-38-4 Cat. No.: D339113 Formula: C₁₁H₁₃NO₄ Peso molecolare: 223.2 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488188451

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188451

Sorrisi canonici

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

Isomeri SMILES

CCOC(=O)C1=CC(=NC=C1)C(=O)OCC

Peso molecolare

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
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: 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).
• Sensibilità: air sensitive
• Indice di rifrazione: n20D1.51 (Predicted)
• Punto di ebollizione (°C): 180 °C/14 mmHg
• Peso molecolare: 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 41438-38-4, the molecular formula is C11H13NO4, and the molecular weight is 223.2 g/mol. InChIKey MUUDQLHCIAOWPR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.