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Screening compounds

Icotinib

Also known as 4-((3-ethynylphenyl)amino)-6,7-benzo-12-crown-4-quinazoline, (1,4,7,10)Tetraoxacyclododecino(2,3-g)quinazolin-4-amine, N-(3-ethynylphenyl)-7,8,10,11,13,14-hexahydro-, N-(3-ethynylphenyl)-7H,8H,10H,11H,13H,14H-1,4,7,10-tetraoxacyclododeca[2,3-g]quinazolin-4-amine

CAS 610798-31-7Formula C22H21N3O4Molar mass 391.43 g/mol
7 suppliers listed
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Icotinib chemical structure, C22H21N3O4, CAS 610798-31-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
610798-31-7
Formula
C22H21N3O4
Molar mass
391.43 g/mol
HS code
293499
Category
Screening compounds

What is Icotinib?

Plain description, key identifiers and synonyms

Icotinib is an orally available quinazoline-based inhibitor of epidermal growth factor receptor (EGFR), with potential antineoplastic activity. Icotinib selectively inhibits the wild-type and several mutated forms of EGFR tyrosine kinase. This may lead to an inhibition of EGFR-mediated signal transduction and may inhibit cancer cell proliferation. EGFR, a receptor tyrosine kinase, has been upregulated in a variety of cancer cell types.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-(3-ethynylphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
CAS number
610798-31-7 CAS number cross-checked
Molecular formula
C22H21N3O4
UNII
9G6U5L461Q
MDL number
MFCD22124501
InChIKey
QQLKULDARVNMAL-UHFFFAOYSA-N
InChI
InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)
SMILES (canonical and isomeric)
C#CC1=CC(=CC=C1)NC2=NC=NC3=CC4=C(C=C32)OCCOCCOCCO4

Synonyms

  • 4-((3-ethynylphenyl)amino)-6,7-benzo-12-crown-4-quinazoline
  • (1,4,7,10)Tetraoxacyclododecino(2,3-g)quinazolin-4-amine, N-(3-ethynylphenyl)-7,8,10,11,13,14-hexahydro-
  • N-(3-ethynylphenyl)-7H,8H,10H,11H,13H,14H-1,4,7,10-tetraoxacyclododeca[2,3-g]quinazolin-4-amine
  • N-(3-ethynylphenyl)-7H,8H,10H,11H,13H,14H-1,4,7,10-tetraoxacyclododeca(2,3-g)quinazolin-4-amine
  • N-(3-ethynylphenyl)-7,8,10,11,13,14-hexahydro-[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4-amine
  • N-(3-ethynylphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
  • Icotinib (BPI-2009H)
  • Icotinib (Standard)
  • icotinib,BPI-2009H
  • 4-((3-ethynylphenyl)amino)-6,7-benzo
  • N-(3-Ethynylphenyl)-7,8,10,11,13,14-hexahydro[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4-amine
  • (3-Ethynyl-phenyl)(7,8,10,11,13,14-hexahydro-6,9,12,15-tetraoxa-1,3-diazacyclododeca[b]naphthalen-4-yl)-amine
  • (3-ethynyl-phenyl)-(7,8,10,11,13,14-hexahydro-6,9,12,15-tetraoxa-1,3-diazacyclododeca[b]naphthalen-4-yl)-amine
  • N-(3-ethynylphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.0^{14,19]icosa-1(12),13,15,17,19-pentaen-18-amine

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
391.43 g/molcalc.
Exact mass
391.1532 Dacalc.
LogP (octanol/water)
3.16calc.
Topological polar surface area
74.73 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
2calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.27calc.
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, c1ccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)cc1

c1ccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)cc1

4 rings, 27 atoms.

3 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.

Icotinib suppliers

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

All 7 suppliers
7 of 7 offers

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Where suppliers are based

7 suppliers in 3 countries

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Icotinib price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • antipsoriatic
  • dermatologic drug
  • pharmaceutical

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 Icotinib is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Icotinib?

Icotinib is an orally available quinazoline-based inhibitor of epidermal growth factor receptor (EGFR), with potential antineoplastic activity. Icotinib selectively inhibits the wild-type and several mutated forms of EGFR tyrosine kinase.

What is the CAS number of Icotinib?

The CAS registry number of Icotinib is 610798-31-7.

What is the molecular formula and weight of Icotinib?

The molecular formula of Icotinib is C22H21N3O4 and its molar mass is 391.43 g/mol.

What is Icotinib used for?

Known uses and roles of Icotinib include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent, antipsoriatic, dermatologic drug and 1 more.

Is Icotinib hazardous?

No GHS hazard classification for Icotinib 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 Icotinib?

Icotinib is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Icotinib?

CompoundList lists 7 suppliers of Icotinib in China, Canada and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Icotinib?

Suppliers quote Icotinib 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

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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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