Trofosfamide - Moligand™, ≥98% , CAS No.22089-22-1

CAS: 22089-22-1 Cat. No.: T352872 Molecular Weight: 323.58 EC Number: 244-770-8 PubChem CID: 65702

GRADE & PURITY Moligand™, ≥98%

Synonyms

Trophosphamide | Ixoten | MLS006010763 | N,N,3-tris(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine, 2-oxide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Trofosfamide is an anti-neoplastic that is one derivative of cyclophosphamide.

Specifications

Synonyms

Trophosphamide | Ixoten | MLS006010763 | N, N, 3-tris(2-chloroethyl)tetrahydro-2H-1, 3, 2-oxazaphosphorin-2-amine, 2-oxide

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CN(P(=O)(OC1)N(CCCl)CCCl)CCCl
• IUPAC Name: N,N,3-tris(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
• InChIKey: UMKFEPPTGMDVMI-UHFFFAOYSA-N
• INCHI: 1S/C9H18Cl3N2O2P/c10-2-6-13-5-1-9-16-17(13,15)14(7-3-11)8-4-12/h1-9H2
• Isomeric SMILES: C1CN(P(=O)(OC1)N(CCCl)CCCl)CCCl
• PubChem CID: 65702
• Molecular Weight: 323.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazaphosphinanes
      • Subclass Isofamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazaphosphinanes
• Subclass: Isofamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Isofamides
• Alternative Parents: Nitrogen mustard compounds Phosphoric monoester diamides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Isofamide - Nitrogen mustard - Phosphoric monoester diamide - Organic phosphoric acid derivative - Organic phosphoric acid amide - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as isofamides. These are oxazaphospholanes containing the isofamide skeleton. Isofamide is a heterocyclic compound made up of a 1,3,2-oxazaphospholane, where the phosphorus atom is part of a phosphodiamide group, and the oxazaphospholane is substituted by two haloalkyl chains.
• 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

Associated Targets(Human)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 47-49° C
• Molecular Weight: 323.600 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 322.017 Da
• Monoisotopic Mass: 322.017 Da
• Topological Polar Surface Area: 32.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 265.000
• 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