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Screening compounds

Sobuzoxane

Also known as Sobuzoxano, Sobuzoxanum, 1,2-Bis(4-isobutoxycarbonyloxymethyl-3,5-dioxo-piperazin-1-yl)ethane

CAS 98631-95-9Formula C22H34N4O10Molar mass 514.53 g/mol
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Sobuzoxane chemical structure, C22H34N4O10, CAS 98631-95-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
98631-95-9
Formula
C22H34N4O10
Molar mass
514.53 g/mol
HS code
293359
Category
Screening compounds

What is Sobuzoxane?

Plain description, key identifiers and synonyms

Sobuzoxane is an organic molecular entity.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[4-[2-[4-(2-methylpropoxycarbonyloxymethyl)-3,5-dioxopiperazin-1-yl]ethyl]-2,6-dioxopiperazin-1-yl]methyl 2-methylpropyl carbonate
CAS number
98631-95-9 CAS number cross-checked
Molecular formula
C22H34N4O10
UNII
R1308VH37P
MDL number
MFCD00866498
InChIKey
OCOKWVBYZHBHLU-UHFFFAOYSA-N
InChI
InChI=1S/C22H34N4O10/c1-15(2)11-33-21(31)35-13-25-17(27)7-23(8-18(25)28)5-6-24-9-19(29)26(20(30)10-24)14-36-22(32)34-12-16(3)4/h15-16H,5-14H2,1-4H3
SMILES (canonical and isomeric)
CC(C)COC(=O)OCN1C(=O)CN(CC1=O)CCN2CC(=O)N(C(=O)C2)COC(=O)OCC(C)C

Synonyms

  • Sobuzoxano
  • Sobuzoxanum
  • 1,2-Bis(4-isobutoxycarbonyloxymethyl-3,5-dioxo-piperazin-1-yl)ethane
  • 1,2-bis(4-isobutoxycarbonyloxymethyl-3,5-dioxopiperazin-1-yl)ethane
  • MST 16
  • [4-[2-[4-(2-methylpropoxycarbonyloxymethyl)-3,5-dioxopiperazin-1-yl]ethyl]-2,6-dioxopiperazin-1-yl]methyl 2-methylpropyl carbonate
  • Perazolin
  • Sobuzoxane (JAN)
  • Perazolin (TN)
  • 4,4'-Ethylenebis(1-(hydroxymethyl)-2,6-piperazinedione) bis(isobutyl carbonate) (ester)
  • Sobuzoxane, >=99% (HPLC), solid
  • Sdccgsbi-0051064.p002
  • [4-[2-[4-(isobutoxycarbonyloxymethyl)-3,5-dioxo-piperazin-1-yl]ethyl]-2,6-dioxo-piperazin-1-yl]methyl isobutyl carbonate
  • Carbonic acid, 1,2-ethanediylbis((2,6-dioxo-4,1-piperazinediyl)methylene)bis(2-methylpropyl) ester
  • 4,4'-(1,2-Ethanediyl)bis(1-isobutoxycarbonyloxymethyl-2,6-piperazinedione)
  • (Ethane-1,2-diylbis(2,6-dioxopiperazine-4,1-diyl))bis(methylene) diisobutyl bis(carbonate)
  • 4,4'-(1,2-Ethanediyl)bis(1-iso-butoxycarbonylox-methyl-2,6-piperazinedione)
  • (Ethane-1,2-diyl)bis[(2,6-dioxopiperazine-4,1-diyl)methylene] bis(2-methylpropyl) biscarbonate
  • [4-[2-[4-(2-Methylpropoxycarbonyloxymethyl)-3,5-dioxo-piperazin-1-yl]ethyl]-2,6-dioxo-piperazin-1-yl]methyl 2-methylpropyl carbonate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
514.53 g/molcalc.
Exact mass
514.2275 Dacalc.
LogP (octanol/water)
-0.14calc.
Topological polar surface area
152.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
11calc.
Heavy atoms
36calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.73calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CN(CCN2CC(=O)NC(=O)C2)CC(=O)N1

O=C1CN(CCN2CC(=O)NC(=O)C2)CC(=O)N1

2 rings, 18 atoms, the 4,4'-(1,2-Ethanediyl)bis(2,6-piperazinedione) ring system.

18 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Sobuzoxane suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 2 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 2 countries

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Sobuzoxane price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Antineoplastic Agents
  • Topoisomerase II Inhibitors

Pharmacology

Sobuzoxane is the orally available active prodrug of ICRF-154, a bisdioxopiperazine derivative, with cardioprotective and antineoplastic activities. Like other ICRF compounds, sobuzoxane and its active metabolite ICRF-154 interfere with topoisomerase II activity prior to the formation of intermediate cleavable DNA-enzyme complexes during the catalytic cycle resulting in tumor cell growth inhibition. Furthermore, sobuzoxane chelates metal cations thereby limiting the formation of free radical-generating anthracycline-metal complexes and may prevent anthracycline-induced oxidative damage to cardiac and soft tissues.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Sobuzoxane is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Sobuzoxane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Sobuzoxane, based on the data on this page

What is Sobuzoxane?

Sobuzoxane is an organic molecular entity.

What is the CAS number of Sobuzoxane?

The CAS registry number of Sobuzoxane is 98631-95-9.

What is the molecular formula and weight of Sobuzoxane?

The molecular formula of Sobuzoxane is C22H34N4O10 and its molar mass is 514.53 g/mol.

What is Sobuzoxane used for?

Known uses and roles of Sobuzoxane include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agents and topoisomerase ii inhibitors.

Is Sobuzoxane hazardous?

No GHS hazard classification for Sobuzoxane is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Sobuzoxane?

Sobuzoxane is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Sobuzoxane?

CompoundList lists 2 suppliers of Sobuzoxane in China and Japan. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Sobuzoxane?

Suppliers quote Sobuzoxane on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Sobuzoxane

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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