NAV

Perfosfamide

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Perfosfamide
DrugBank Accession Number
DB12727
Background

Perfosfamide has been used in trials studying the treatment of Lymphoma, Neuroblastoma, and Multiple Myeloma and Plasma Cell Neoplasm.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 293.08
Monoisotopic: 292.0146494
Chemical Formula
C7H15Cl2N2O4P
Synonyms
  • Perfosfamide
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
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.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Nitrogen mustard compounds
Direct Parent
Nitrogen mustard compounds
Alternative Parents
Phosphoric monoester diamides / Oxazaphosphinanes / Peroxols / Oxacyclic compounds / Azacyclic compounds / Alkyl hydroperoxides / Organochlorides / Organic oxides / Hydrocarbon derivatives / Alkyl chlorides
Substituents
Aliphatic heteromonocyclic compound / Alkyl chloride / Alkyl halide / Alkyl hydroperoxide / Azacycle / Hydrocarbon derivative / Hydroperoxide / Nitrogen mustard / Organic oxide / Organic oxygen compound
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
U880A4FUDA
CAS number
62435-42-1
InChI Key
VPAWVRUHMJVRHU-VGDKGRGNSA-N
InChI
InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(13)10-7(15-12)1-6-14-16/h7,12H,1-6H2,(H,10,13)/t7-,16-/m1/s1
IUPAC Name
(2R,4R)-2-[bis(2-chloroethyl)amino]-4-hydroperoxy-1,3,2lambda5-oxazaphosphinan-2-one
SMILES
OO[C@@H]1CCO[P@](=O)(N1)N(CCCl)CCCl

References

General References
Not Available
PubChem Compound
9554809
PubChem Substance
347828921
ChemSpider
7832817
ChEBI
135223
ChEMBL
CHEMBL421584
ZINC
ZINC000043226442
Wikipedia
Perfosfamide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentLymphoma / Multiple Myeloma and Plasma Cell Neoplasm1
2CompletedTreatmentNeuroblastoma (NB)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility13.3 mg/mLALOGPS
logP0.19ALOGPS
logP0.39Chemaxon
logS-1.3ALOGPS
pKa (Strongest Acidic)11.36Chemaxon
pKa (Strongest Basic)0.0046Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area71.03 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity60.44 m3·mol-1Chemaxon
Polarizability25.49 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0zgi-5970000000-774c3bf620f27818bb45
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0590000000-17048e984f8ec7c9b174
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-0090000000-a56f2efb78ffacf00481
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-1290000000-b7b4376ad439240664f8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bt9-5900000000-902f5d5dc275b85c767f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9400000000-21acfb098f2ca88153b2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03xr-9430000000-18dc8337d588c329a86d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-152.0989
predicted
DeepCCS 1.0 (2019)
[M+H]+154.49449
predicted
DeepCCS 1.0 (2019)
[M+Na]+160.407
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:52 / Updated at February 21, 2021 18:53