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Screening compounds

Iruplinalkib

Also known as Qixinke, 5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]pyrimidine-2,4-diamine, example 9

CAS 1854943-32-0Formula C29H38ClN6O2PMolar mass 569.09 g/mol
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Iruplinalkib chemical structure, C29H38ClN6O2P, CAS 1854943-32-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1854943-32-0
Formula
C29H38ClN6O2P
Molar mass
569.09 g/mol
HS code
293359
Category
Screening compounds

What is Iruplinalkib?

Plain description, key identifiers and synonyms

Iruplinalkib is an orally available, small molecule inhibitor of the receptor tyrosine kinase (RTK) anaplastic lymphoma kinase (ALK), with potential antineoplastic activity. Upon oral administration, iruplinalkib binds to and inhibits ALK tyrosine kinase, ALK fusion proteins, ALK point mutation variants ALK L1196M, ALK C1156Y, and EGFR L858R/T790M. Inhibition of ALK leads to the disruption of ALK-mediated signaling and the inhibition of cell growth in ALK-expressing tumor cells. ALK belongs to the insulin receptor superfamily and plays an important role in nervous system development. ALK is not expressed in healthy adult human tissue but ALK dysregulation and gene rearrangements are associated with a series of tumors. Additionally, ALK mutations are associated with acquired resistance to small molecule tyrosine kinase inhibitors.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]pyrimidine-2,4-diamine
CAS number
1854943-32-0
Molecular formula
C29H38ClN6O2P
UNII
Z5F65W1YAZ
MDL number
MFCD34789645
InChIKey
ZPCCNHQDFZCULN-UHFFFAOYSA-N
InChI
InChI=1S/C29H38ClN6O2P/c1-35-15-11-29(12-16-35)13-17-36(18-14-29)21-9-10-23(25(19-21)38-2)33-28-31-20-22(30)27(34-28)32-24-7-5-6-8-26(24)39(3,4)37/h5-10,19-20H,11-18H2,1-4H3,(H2,31,32,33,34)
SMILES (canonical and isomeric)
CN1CCC2(CC1)CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC

Synonyms

  • Qixinke
  • 5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]pyrimidine-2,4-diamine
  • example 9
  • 2,4-Pyrimidinediamine, 5-chloro-N4-(2-(dimethylphosphinyl)phenyl)-N2-(2-methoxy-4-(9-methyl-3,9-diazaspiro(5.5)undec-3-yl)phenyl)-
  • 5-Chloro-N4-(2-(dimethylphosphinyl)phenyl)-N2-(2-methoxy-4-(9-methyl-3,9-diazaspiro(5.5)undec-3-yl)phenyl)-2,4-pyrimidinediamine
  • example 9 (US10053477B2)
  • 5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-(9-methyl-3,9-diazaspiro(5.5)undecan-3-yl)phenyl)pyrimidine-2,4-diamine
  • ALK Inhibitor WX-0593
  • FL 006
  • WX 0593
  • (2-((5-Chloro-2-((2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide
  • [2-[[5-Chloro-2-[[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]amino]-4-pyrimidinyl]amino]phenyl]dimethylphosphine Oxide

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
569.09 g/molcalc.
Exact mass
568.2482 Dacalc.
LogP (octanol/water)
6.19calc.
Topological polar surface area
82.62 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
7calc.
Heavy atoms
39calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.45calc.
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, c1ccc(Nc2ccnc(Nc3ccc(N4CCC5(CCNCC5)CC4)cc3)n2)cc1

c1ccc(Nc2ccnc(Nc3ccc(N4CCC5(CCNCC5)CC4)cc3)n2)cc1

5 rings, 31 atoms.

No other chemical in our database has 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.

Iruplinalkib suppliers

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Iruplinalkib price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • 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 Iruplinalkib 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 Iruplinalkib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Iruplinalkib?

Iruplinalkib is an orally available, small molecule inhibitor of the receptor tyrosine kinase (RTK) anaplastic lymphoma kinase (ALK), with potential antineoplastic activity.

What is the CAS number of Iruplinalkib?

The CAS registry number of Iruplinalkib is 1854943-32-0.

What is the molecular formula and weight of Iruplinalkib?

The molecular formula of Iruplinalkib is C29H38ClN6O2P and its molar mass is 569.09 g/mol.

What is Iruplinalkib used for?

Known uses and roles of Iruplinalkib include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Iruplinalkib hazardous?

No GHS hazard classification for Iruplinalkib 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 Iruplinalkib?

Iruplinalkib 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 Iruplinalkib?

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What is the price of Iruplinalkib?

Suppliers quote Iruplinalkib 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 Iruplinalkib

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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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