Probimane - ≥98% , CAS No.108093-90-9

CAS: 108093-90-9 Cat. No.: P1047823 PubChem CID: 125610

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CC(CN1CC(=O)N(C(=O)C1)CN2CCOCC2)N3CC(=O)N(C(=O)C3)CN4CCOCC4

IUPAC Name

1-(morpholin-4-ylmethyl)-4-[2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione

InChIKey

MAUYWACILHVRLR-UHFFFAOYSA-N

INCHI

1S/C21H34N6O6/c1-17(25-13-20(30)27(21(31)14-25)16-23-4-8-33-9-5-23)10-24-11-18(28)26(19(29)12-24)15-22-2-6-32-7-3-22/h17H,2-16H2,1H3

Isómeros SMILES

CC(CN1CC(=O)N(C(=O)C1)CN2CCOCC2)N3CC(=O)N(C(=O)C3)CN4CCOCC4

CAS alternativo

95604-83-4,108093-90-9

PubChem CID

125610

Términos de entrada MeSH

AT 2153;AT-2153;bis(4-morpholinomethyl-3,5-dioxopiperazin-1-yl)propane;bis-(4-morpholinomethyl-3,5-dioxopiperazinyl)-1-methylylethane;MM 159;MM-159;probimane;probimane, (+-)-isomer

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Dioxopiperazines N-alkylpiperazines N-substituted carboxylic acid imides Morpholines Dicarboximides Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Dioxopiperazine - N-alkylpiperazine - Piperazine - Oxazinane - Carboxylic acid imide, n-substituted - Morpholine - 1,4-diazinane - Dicarboximide - Carboxylic acid imide - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), 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

Propiedades químicas y físicas

• Peso molecular: 466.500 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 466.254 Da
• Monoisotopic Mass: 466.254 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 718.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

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 room temperature.

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

The CAS Number is 108093-90-9. InChIKey MAUYWACILHVRLR-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.