NAV

Treosulfan

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

Identification

Generic Name
Treosulfan
DrugBank Accession Number
DB11678
Background

Treosulfan is under investigation in Allogeneic Haematopoietic Stem Cell Transplantation. Treosulfan has been investigated for the treatment of Lymphoblastic Leukemia, Acute, Childhood.

Type
Small Molecule
Groups
Approved, Investigational
Structure
3D
Similar Structures
Weight
Average: 278.29
Monoisotopic: 278.013009759
Chemical Formula
C6H14O8S2
Synonyms
  • DIHYDROXYBUSULFAN
  • OVASTAT
  • Treosulfan
External IDs
  • NSC-39069
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Pharmacology

Indication

Not Available

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Associated Therapies
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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Treosulfan is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Treosulfan is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Treosulfan is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Treosulfan is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Treosulfan is combined with Bupivacaine.
Food Interactions
Not Available

Products

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Brand Name Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
TrecondiInjection, powder, for solution1 gIntravenousMedac Gesellschaft Für Klinische Spezialpräparate Mb H2020-12-16Not applicableEU flag
TrecondiInjection, powder, for solution5 gIntravenousMedac Gesellschaft Für Klinische Spezialpräparate Mb H2020-12-16Not applicableEU flag
TrecondiInjection, powder, for solution1 gIntravenousMedac Gesellschaft Für Klinische Spezialpräparate Mb H2020-12-16Not applicableEU flag
TrecondiInjection, powder, for solution5 gIntravenousMedac Gesellschaft Für Klinische Spezialpräparate Mb H2020-12-16Not applicableEU flag
TrecondyvPowder5 g / vialIntravenousMedexus Inc2021-08-31Not applicableCanada flag

Categories

ATC Codes
L01AB02 — Treosulfan
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as organosulfonic acid esters. These are esters of sulfonic acid, which have the general structure RS(=O)2OR' (R,R' = organyl, not H).
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Organic sulfonic acids and derivatives
Sub Class
Organosulfonic acids and derivatives
Direct Parent
Organosulfonic acid esters
Alternative Parents
Sulfonic acid esters / Sulfonyls / Methanesulfonates / Secondary alcohols / 1,2-diols / Organic oxides / Hydrocarbon derivatives
Substituents
1,2-diol / Alcohol / Aliphatic acyclic compound / Hydrocarbon derivative / Methanesulfonate / Organic oxide / Organic oxygen compound / Organooxygen compound / Organosulfonic acid ester / Organosulfur compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
methanesulfonate ester (CHEBI:82557)
Affected organisms
Not Available

Chemical Identifiers

UNII
CO61ER3EPI
CAS number
299-75-2
InChI Key
YCPOZVAOBBQLRI-WDSKDSINSA-N
InChI
InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1
IUPAC Name
(2S,3S)-2,3-dihydroxy-4-(methanesulfonyloxy)butyl methanesulfonate
SMILES
CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O

References

General References
  1. EMA Summary of Product Characteristics: Trecondi (treosulfan) powder for solution for infusion [Link]
KEGG Compound
C19557
PubChem Compound
9882105
PubChem Substance
347828046
ChemSpider
8057780
RxNav
38508
ChEBI
82557
ChEMBL
CHEMBL455186
ZINC
ZINC000001671094
Wikipedia
Treosulfan

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentAcute Myeloid Leukemia / Myelodysplastic Syndrome1
3CompletedTreatmentEwing's Sarcoma1
3CompletedTreatmentOvarian Cancer1
3Unknown StatusTreatmentChildhood Acute Lymphoblastic Leukemia2
3Unknown StatusTreatmentMelanoma1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Injection, powder, for solutionIntravenous1 G
Injection, powder, for solutionIntravenous5 G
PowderIntravenous1 g / vial
PowderIntravenous5 g / vial
Powder, for solution
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility17.0 mg/mLALOGPS
logP-1.5ALOGPS
logP-2.6Chemaxon
logS-1.2ALOGPS
pKa (Strongest Acidic)12.99Chemaxon
pKa (Strongest Basic)-3.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area127.2 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity51.98 m3·mol-1Chemaxon
Polarizability24.93 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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-MSsplash10-000i-2910000000-a15c7e2c0f02f4dbe7c6
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-1190000000-58facb6ff7e5ead9a2e3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-1090000000-a9262e519e73fe288810
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fk9-4910000000-ca37f5b0e1e9809b7f0e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9200000000-ad815a37bb6c5de9dcd1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-a618f376b042447aed75
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001j-9300000000-4a001ae2574252f079f6
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]-162.7121735
predicted
DarkChem Lite v0.1.0
[M-H]-153.85022
predicted
DeepCCS 1.0 (2019)
[M+H]+162.9001735
predicted
DarkChem Lite v0.1.0
[M+H]+156.24579
predicted
DeepCCS 1.0 (2019)
[M+Na]+162.2111735
predicted
DarkChem Lite v0.1.0
[M+Na]+162.15831
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:39 / Updated at February 20, 2024 23:54