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Screening compounds

Anthrapyrazole

Also known as Anthrapyrazoles, Anthra(1, 9-cd)pyrazol-6(2H)-one, 7, 10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-5-((2-(methylamino)ethyl)amino)-acetate (salt) hydrobromide (10:5:21), Anthra(1, 9-cd)pyrazol-6(2H)-one, 7, 10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-5-((2-(methylamino)ethyl)amino)-acetate (salt) hydrobromide(10:5:21)

CAS 91440-30-1Formula C22H27N5O3Molar mass 409.49 g/mol
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Anthrapyrazole chemical structure, C22H27N5O3, CAS 91440-30-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
91440-30-1
Formula
C22H27N5O3
Molar mass
409.49 g/mol
HS code
293399
Category
Screening compounds

What is Anthrapyrazole?

Plain description, key identifiers and synonyms

Anthrapyrazole is an antineoplastic antibiotic that intercalates into DNA and interacts with topoisomerase II, thereby inhibiting DNA replication and repair and RNA and protein synthesis. Anthrapyrazoles may also block cell cycle division. In the presence of electron donors, some anthrapyrazole antibiotics cause single-strand breaks in DNA via photosensitization by visible light. These agents are less cardiotoxic than doxorubicin. (NCI04)

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
14-[2-(2-hydroxyethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one
CAS number
91440-30-1 CAS number cross-checked
Molecular formula
C22H27N5O3
InChIKey
VHKZUBOWZGHDQA-UHFFFAOYSA-N
InChI
InChI=1S/C22H27N5O3/c28-13-10-23-7-8-25-17-5-6-18-20-19(17)22(30)16-4-2-1-3-15(16)21(20)26-27(18)12-9-24-11-14-29/h1-6,23-25,28-29H,7-14H2
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C3=NN(C4=C3C(=C(C=C4)NCCNCCO)C2=O)CCNCCO

Synonyms

  • Anthrapyrazoles
  • Anthra(1, 9-cd)pyrazol-6(2H)-one, 7, 10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-5-((2-(methylamino)ethyl)amino)-acetate (salt) hydrobromide (10:5:21)
  • Anthra(1, 9-cd)pyrazol-6(2H)-one, 7, 10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-5-((2-(methylamino)ethyl)amino)-acetate (salt) hydrobromide(10:5:21)
  • Anthra(1,9-cd)pyrazol-6(2H)-one, 7, 10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-5-((2-(methylamino)ethyl)amino)-, acetate (salt) hydrobromide (10:5:21)
  • Anthra(1,9-cd)pyrazol-6(2H)-one, 7, 10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-5-((2-(methylamino)ethyl)amino)-, acetate (salt) hydrobromide(10:5:21)
  • Anthra(1,9-cd)pyrazol-6(2H)-one, 2-(2-((2-hydroxyethyl)amino)ethyl)-5-((2-((2-hydroxyethyl)amino)ethyl)amino)-
  • 14-[2-(2-Hydroxyethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one
  • 2-{2-[(2-hydroxyethyl)amino]ethyl}-5-({2-[(2-hydroxyethyl)amino]ethyl}amino)dibenzo[cd,g]indazol-6(2H)-one

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
409.49 g/molcalc.
Exact mass
409.2114 Dacalc.
LogP (octanol/water)
0.82calc.
Topological polar surface area
111.4 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
11calc.
Heavy atoms
30calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 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=C1c2ccccc2-c2n[nH]c3cccc1c23

O=C1c2ccccc2-c2n[nH]c3cccc1c23

4 rings, 17 atoms, the Anthra(1,9-cd)pyrazol-6(2H)-one ring system.

13 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.

Anthrapyrazole suppliers

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Anthrapyrazole 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

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 Anthrapyrazole is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Anthrapyrazole?

Anthrapyrazole is an antineoplastic antibiotic that intercalates into DNA and interacts with topoisomerase II, thereby inhibiting DNA replication and repair and RNA and protein synthesis. Anthrapyrazoles may also block cell cycle division.

What is the CAS number of Anthrapyrazole?

The CAS registry number of Anthrapyrazole is 91440-30-1.

What is the molecular formula and weight of Anthrapyrazole?

The molecular formula of Anthrapyrazole is C22H27N5O3 and its molar mass is 409.49 g/mol.

What is Anthrapyrazole used for?

Known uses and roles of Anthrapyrazole include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Anthrapyrazole hazardous?

No GHS hazard classification for Anthrapyrazole 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 Anthrapyrazole?

Anthrapyrazole is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Anthrapyrazole?

Post a free request on CompoundList and suppliers of Anthrapyrazole will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Anthrapyrazole?

Suppliers quote Anthrapyrazole 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 Anthrapyrazole

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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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