Basic information
- CAS
12712-32-2- Standard SMILES
C1CN(P2(N3CC3)=NP(N3CC3)(N3CC3)=NP(N3CC3)(N3CC3)=N2)CCO1- InChIKey
SCGZIPCHOAVGCL-UHFFFAOYSA-N- Molecular formula
- C14H28N9OP3
- Average molar mass
- 431.35 g/mol
- Monoisotopic mass
- 431.16296754
Overview
Fotretamine is a pentaethyleneimine derivative with antineoplastic alkylating activity. Fotretamine causes chromosomal breaks in lymphocytes which contributes to its immunosuppressive activity.
Names & identifiers
- Preferred name
- Fotretamine
- IUPAC
- 4-[2,4,4,6,6-pentakis(aziridin-1-yl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]morpholine
- English name
- Fotretamine
- Molecular formula
- C14H28N9OP3
- Molecular weight
- 431.359
Names & synonyms
FotretamineFotrin37132-72-2FotretaminaPhotrinFotretaminumDTXSID5048687NSC-216135NSC2161357Z7670589CDTXCID50286132,2,4,4,6-pentaethyleneimino-6-morpholinocyclotriphosphazatriene
Show more names
2λ5,4λ5,6λ5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6-pentakis(1-aziridinyl)-6-(4-morpholinyl)-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6-pentakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-6-(4-morpholinyl)-
2,2,4,4,6-Pentaethylenimino-6-morpholino-cyclotriphosphazatrien2,2,4,4,6-Pentakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-6-(4-morpholinyl)-1,3, 5,2,4,6-triazatriphosphorineRefChem:141404PhotrinumFortrinFotretamine [INN]PhotrineMonomorpholine, pentaethyleneiminotriphosphonitrile
Database identifiers
- CAS
12712-32-2、37132-72-2- PubChem CID
- 65800
- DTXSID
DTXSID5048687- ChEMBL
CHEMBL471525- UNII
- 7Z7670589C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 751
Physicochemical properties
- Melting point
- 121 °C · 121°C
- Density
- 2.1 · 2.10±0.1 g/cm3(Predicted)
- pka
- 3.66 · 3.66±0.50(Predicted)
- form
- solid
- FDA UNII
- 7 Z7670589C · 7Z7670589C
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
A class of drugs that differs from other alkylating agents used clinically in that they are monofunctional and thus unable to cross-link cellular macromolecules. Among their common properties are a requirement for metabolic activation to intermediates with antitumor efficacy and the presence in their chemical structures of N-methyl groups, that after metabolism, can covalently modify cellular DNA. The precise mechanisms by which each of these drugs acts to kill tumor cells are not completely understood. (From AMA, Drug Evaluations Annual, 1994, p2026)
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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