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Screening compounds

Selitrectinib

Also known as LOXO-195, LOXO195, (6R,15R)-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one

CAS 2097002-61-2Formula C20H21FN6OMolar mass 380.43 g/molEC 875-703-6
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Selitrectinib chemical structure, C20H21FN6O, CAS 2097002-61-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2097002-61-2
Formula
C20H21FN6O
Molar mass
380.43 g/mol
EC number
875-703-6
HS code
293359
Category
Screening compounds

What is Selitrectinib?

Plain description, key identifiers and synonyms

Selitrectinib is an orally bioavailable, selective tropomyosin-related-kinase (tyrosine receptor kinase, TRK) inhibitor, with potential antineoplastic activity. Upon oral administration, selitrectinib specifically targets and binds to TRK, including the fusion proteins containing sequences from neurotrophic tyrosine receptor kinase (NTRK) types 1 (NTRK1), 2 (NTRK2), and 3 (NTRK3). This prevents neurotrophin-TRK interaction and TRK activation, which results in both the induction of cellular apoptosis and the inhibition of cell growth in tumors that overexpress TRK and/or express NTRK fusion proteins. LOXO-195 targets specific point mutations that occur after treatment with and result in acquired resistance to another TRK inhibitor, therefore, LOXO-195 is able to overcome acquired resistance to other TRK inhibitors.

Read more

TRK, a family of receptor tyrosine kinases (RTKs) activated by neurotrophins, is encoded by NTRK family genes. The expression of either mutated forms of or fusion proteins involving NTRK family members results in uncontrolled TRK signaling and plays an important role in tumor cell growth and survival.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6R,15R)-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
CAS number
2097002-61-2
EC number
875-703-6
Molecular formula
C20H21FN6O
UNII
0J45910S3X
MDL number
MFCD31620755
InChIKey
OEBIHOVSAMBXIB-SJKOYZFVSA-N
InChI
InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1
Canonical SMILES
CC1CCc2ncc(F)cc2C2CCCN2c2ccn3ncc(c3n2)C(=O)N1
Isomeric SMILES
C[C@@H]1CCC2=C(C=C(C=N2)F)[C@H]3CCCN3C4=NC5=C(C=NN5C=C4)C(=O)N1

Synonyms

  • LOXO-195
  • LOXO195
  • (6R,15R)-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
  • BAY 2731954
  • (13E,14E,22R,6R)-35-fluoro-6-methyl-7-aza-1(5,3)-pyrazolo[1,5-a]pyrimidina-3(3,2)-pyridina-2(1,2)-pyrrolidinacyclooctaphan-8-one
  • selitrectinibum
  • LOXO 195
  • (13E,14E,22R,6R)-35-fluoro-6-methyl-7-aza-1(5,3)-pyrazolo(1,5-a)pyrimidina-3(3,2)-pyridina-2(1,2)-pyrrolidinacyclooctaphan-8-one
  • (6R,15R)-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo(16.5.2.02,6.07,12.021,25)pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
  • TRK Inhibitor LOXO-195
  • (6R,15R)-9-fluoro-15-methyl-2,11,16,20,21,24-hexaazapentacyclo(16.5.2.0^(2,6).0^(7,12).0^(21,25))pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
  • (3aR,10R)-5-Fluoro-1,2,3,3a,8,9,10,11-octahydro-10-methyl-12H-15,17-ethenopyrazolo[3,4-d]pyrido[2,3-k]pyrrolo[2,1-m][1,3,7]triazacyclotridecin-12-one
  • LOXO 195(Selitrectinib)
  • Selitrectinib (LOXO-195)
  • example 28
  • Selitrectinib(LOXO-195)
  • Selitrectinib (Standard)
  • (13E,14E,22R,6R)-35-fluoro-6-methyl-7-aza-1(5,3)pyrazolo[1,5-a]pyrimidina-3(3,2)pyridi
  • (22R,6R)-35-Fluoro-6-methyl-1(5,3)-pyrazolo(1,5-a)pyrimidina-3(3,2)-pyridina-2(1,2)-pyrrolidinacyclooctaphan-8-one
  • (3aR,10R)-5-Fluoro-1,2,3,3a,8,9,10,11-octahydro-10-methyl-12H-15,17-Ethenopyrazolo[3,4-d]pyrido[2,3-k]pyrrolo[2,1-m][1,3,7]triazacyclotridecin-12-one,
  • (6R,15R)-9-fluoro-15-methyl-2,11,16,20,21,24-hexaazapentacyclo[16.5.2.0,.0,.0,pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
  • 12H-15,17-Ethenopyrazolo[3,4-d]pyrido[2,3-k]pyrrolo[2,1-m][1,3,7]triazacyclotridecin-12-one, 5-fluoro-1,2,3,3a,8,9,10,11-octahydro-10-methyl-, (3aR,10R)-
  • 12H-5,7-Ethenopyrazolo(3,4-d)pyrido(2,3-k)pyrrolo(2,1-m)(1,3,7)triazacyclotridecin-12-one, 5-fluoro-1,2,3,3a,8,9,10,11-octahydro-10-methyl-, (3ar,10R)-

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
380.43 g/molcalc.
Exact mass
380.1761 Dacalc.
LogP (octanol/water)
2.67calc.
Topological polar surface area
75.42 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
0calc.
Heavy atoms
28calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C1NCCCc2ncccc2C2CCCN2c2ccn3ncc1c3n2

O=C1NCCCc2ncccc2C2CCCN2c2ccn3ncc1c3n2

5 rings, 26 atoms.

2 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.

Selitrectinib suppliers

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

All 2 suppliers
  • Axon Medchem
    United States, RestonUnclaimed profile
    SelitrectinibGrade, purity and minimum order on request
    Price on request
    View
  • CYH Pharma
    China, ShanghaiUnclaimed profile
    SelitrectinibGrade, purity and minimum order on request
    Price on request
    View

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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Selitrectinib 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

  • Enzyme Inhibitors

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

Frequently asked questions

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

What is Selitrectinib?

Selitrectinib is an orally bioavailable, selective tropomyosin-related-kinase (tyrosine receptor kinase, TRK) inhibitor, with potential antineoplastic activity.

What is the CAS number of Selitrectinib?

The CAS registry number of Selitrectinib is 2097002-61-2.

What is the molecular formula and weight of Selitrectinib?

The molecular formula of Selitrectinib is C20H21FN6O and its molar mass is 380.43 g/mol.

What is Selitrectinib used for?

Known uses and roles of Selitrectinib include building blocks in research and laboratory, screening compounds in research and laboratory, biochemical and pharmacological tools in research and laboratory, antineoplastic agent, pharmaceutical and 1 more.

Is Selitrectinib hazardous?

No GHS hazard classification for Selitrectinib 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 Selitrectinib?

Selitrectinib 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 Selitrectinib?

CompoundList lists 2 suppliers of Selitrectinib in China 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 Selitrectinib?

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

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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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