GRADE & PURITY ≥90%(Mixture of Diastereomers)

Synonyms

rel-2-[[(2R,4R)-2-[Bis(2-chloroethyl)amino]tetrahydro-2-oxido-2H-1,3,2-oxazaphosphorin-4-yl]thio]ethanesulfonic Acid Sodium | Mafosfamid Sodium | Z 7557 | cis-Mafosfamide Sodium

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Mafosfamide Sodium Salt is a cyclophosphamide analog which induces apoptosis in lymphoblastoid cells. It also acts as an antitumor agent in vitro.

Specifications

Sinónimos

rel-2-[[(2R, 4R)-2-[Bis(2-chloroethyl)amino]tetrahydro-2-oxido-2H-1, 3, 2-oxazaphosphorin-4-yl]thio]ethanesulfonic Acid Sodium | Mafosfamid Sodium | Z 7557 | cis-Mafosfamide Sodium

Especificaciones y pureza

≥90%(Mixture of Diastereomers)

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

Chemical is very hygroscopic and can be stored as supplied for a year at -20° C under inert atmosphere before retesting is recommended.

Pureza

≥90%(Mixture of Diastereomers)

Nombres e identificadores

• Sonrisas canónicas: C1COP(=O)(NC1SCCS(=O)(=O)O)N(CCCl)CCCl
• IUPAC Name: 2-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]sulfanyl]ethanesulfonic acid
• InChIKey: PBUUPFTVAPUWDE-UHFFFAOYSA-N
• INCHI: 1S/C9H19Cl2N2O5PS2/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17/h9H,1-8H2,(H,12,14)(H,15,16,17)
• Isómeros SMILES: C1COP(=O)(NC1SCCS(=O)(=O)O)N(CCCl)CCCl
• Peso molecular: 423.25
• Reaxy-Rn: 6071638
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6071638&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Nitrogen mustard compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Nitrogen mustard compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrogen mustard compounds
• Alternative Parents: Phosphoric monoester diamides Oxazaphosphinanes Sulfonyls Organosulfonic acids Alkanesulfonic acids Sulfenyl compounds Oxacyclic compounds Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Nitrogen mustard - Phosphoric monoester diamide - Organic phosphoric acid derivative - Oxazaphosphinane - Organic phosphoric acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Azacycle - Sulfenyl compound - Thioether - Organoheterocyclic compound - Oxacycle - Dialkylthioether - Organohalogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organochloride - Organopnictogen compound - Alkyl chloride - Hydrocarbon derivative - Alkyl halide - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO, and methanol.
• Sensibilidad: Hygroscopic
• Índice de refracción: n20D1.57 (Predicted)
• Punto de fusión (°C): >85°C (dec.)
• Peso molecular: 401.300 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 399.985 Da
• Monoisotopic Mass: 399.985 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 456.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1