L-Pyroglutamic acid 4-nitroanilide - ≥97% , CAS No.66642-35-1

CAS: 66642-35-1 Cat. No.: L352334 Summenformel: C₁₁H₁₁N₃O₄ Molekulargewicht: 249.22

GRADE & PURITY ≥97%

Synonyms

Pyroglutamic acid p-nitroanilide, protease substrate | P-8630 | AKOS027384352 | L-Pyroglutamic acid 4-nitroanilide | Pyroglutamine-4-nitroanilide | (S)-N-(4-Nitrophenyl)-5-oxopyrrolidine-2-carboxamide | (2S)-N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

Pyroglutamic acid p-nitroanilide, protease substrate | P-8630 | AKOS027384352 | L-Pyroglutamic acid 4-nitroanilide | Pyroglutamine-4-nitroanilide | (S)-N-(4-Nitrophenyl)-5-oxopyrrolidine-2-carboxamide | (2S)-N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamid

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504757754

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757754

Kanonisches Lächeln

C1CC(=O)NC1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

IUPAC Name

(2S)-N-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxamide

InChIKey

HGNBEWLBSCSJGV-VIFPVBQESA-N

INCHI

1S/C11H11N3O4/c15-10-6-5-9(13-10)11(16)12-7-1-3-8(4-2-7)14(17)18/h1-4,9H,5-6H2,(H,12,16)(H,13,15)/t9-/m0/s1

Isomere SMILES

C1CC(=O)N[C@@H]1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Molekulargewicht

249.22

Reaxy-Rn

418539

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=418539&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: Alpha amino acid amides Nitrobenzenes Anilides Pyrrolidinecarboxamides Nitroaromatic compounds N-arylamides Pyrrolidine-2-ones Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid amide - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Benzenoid - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Pyrrolidine - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMF: 50 mg/mL, clear, colorless to faintly yellow
• Molekulargewicht: 249.220 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 249.075 Da
• Monoisotopic Mass: 249.075 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 358.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 66642-35-1, the molecular formula is C11H11N3O4, and the molecular weight is 249.22 g/mol. InChIKey HGNBEWLBSCSJGV-VIFPVBQESA-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.