2H-1,3,2-Oxazaphosphorin-2-amine,N,3-bis(2-chloroethyl)tetrahydro-4-hydroperoxy-, 2-oxide

Modify Date: 2026-08-02 19:28:50

2H-1,3,2-Oxazaphosphorin-2-amine,N,3-bis(2-chloroethyl)tetrahydro-4-hydroperoxy-, 2-oxide Structure
2H-1,3,2-Oxazaphosphorin-2-amine,N,3-bis(2-chloroethyl)tetrahydro-4-hydroperoxy-, 2-oxide structure
 Common Name 2H-1,3,2-Oxazaphosphorin-2-amine,N,3-bis(2-chloroethyl)tetrahydro-4-hydroperoxy-, 2-oxide
CAS Number 39800-28-7 Molecular Weight 293.08
Density 1.46g/cm3 Boiling Point 419.9ºC at 760mmHg
Molecular Formula C7H15Cl2N2O4P Melting Point N/A
MSDS N/A Flash Point 207.8ºC

 Use of 2H-1,3,2-Oxazaphosphorin-2-amine,N,3-bis(2-chloroethyl)tetrahydro-4-hydroperoxy-, 2-oxide


4-Hydroperoxyifosfamide is an anticancer agent that can penetrate the blood-brain barrier (BBB)[1].

 Names

Name 4-hydroperoxyifosfamide
Synonym More Synonyms

  Biological Activity

Description 4-Hydroperoxyifosfamide is an anticancer agent that can penetrate the blood-brain barrier (BBB)[1].
Related Catalog
References

[1]. Ishimoto TM, et al. Allelic variants of the human glutathione S-transferase P1 gene confer differential cytoprotection against anticancer agents in Escherichia coli. Pharmacogenetics. 2002 Oct;12(7):543-53.  

 Chemical & Physical Properties

Density 1.46g/cm3
Boiling Point 419.9ºC at 760mmHg
Molecular Formula C7H15Cl2N2O4P
Molecular Weight 293.08
Flash Point 207.8ºC
Exact Mass 292.01500
PSA 80.84000
LogP 2.02850
Index of Refraction 1.525
InChIKey YGZIWEZFFBPCLN-UHFFFAOYSA-N
SMILES O=P1(NCCCl)OCCC(OO)N1CCCl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MX2435000
CHEMICAL NAME :
Hydroperoxide, 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro- 2H-1,3,2-oxazaphospho rin- 4-yl-, P-oxide
CAS REGISTRY NUMBER :
39800-28-7
LAST UPDATED :
199310
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H15-Cl2-N2-O4-P
MOLECULAR WEIGHT :
293.11

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CTRRDO Cancer Treatment Reports. (Washington, DC) V.60-71, 1976-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 60,361,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
220 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CTRRDO Cancer Treatment Reports. (Washington, DC) V.60-71, 1976-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 60,361,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
230 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CTRRDO Cancer Treatment Reports. (Washington, DC) V.60-71, 1976-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 60,361,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
230 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CTRRDO Cancer Treatment Reports. (Washington, DC) V.60-71, 1976-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 60,361,1976

 Bioassay

View more

Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Antileukemic activity against mouse L1210 cells allografted in iv dosed BDF1 mouse as...
Source: ChEMBL
Target: L1210
External Id: CHEMBL3257525
Name: Antileukemic activity against mouse L1210 cells allografted in po dosed BDF1 mouse as...
Source: ChEMBL
Target: L1210
External Id: CHEMBL3257527
Name: Antileukemic activity against mouse L1210 cells allografted in ip dosed BDF1 mouse as...
Source: ChEMBL
Target: L1210
External Id: CHEMBL3257526
Name: qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
Source: NCGC
Target: apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id: AMA1100
Name: Antileukemic activity against mouse L1210 cells allografted in ip dosed BDF1 mouse as...
Source: ChEMBL
Target: L1210
External Id: CHEMBL3257529
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id: ABHD4_INH_FP_1536_1X%INH PRUN
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 Synonyms

Hydroperoxyisophosphamide
4-Hydroperoxyisophosphamid
4-Hydroperoxyifosfamid
asta6760
4-hydroperoxyisophosphamide
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Chemsrc provides CAS#:39800-28-7 MSDS, density, melting point, boiling point, structure, etc. Its name is 2H-1,3,2-Oxazaphosphorin-2-amine,N,3-bis(2-chloroethyl)tetrahydro-4-hydroperoxy-, 2-oxide>> amp version: 2H-1,3,2-Oxazaphosphorin-2-amine,N,3-bis(2-chloroethyl)tetrahydro-4-hydroperoxy-, 2-oxide

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