Repotrectinib
Also known as Augtyro, repotrectinibum, (3R,11S)-6-fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one
Key facts
What buyers check first
- CAS number
- 1802220-02-5
- Formula
- C18H18FN5O2
- Molar mass
- 355.37 g/mol
- EC number
- 875-681-8
- HS code
- 293499
- Category
- Oncology and immunology drugs
What is Repotrectinib?
Plain description, key identifiers and synonyms
Repotrectinib is an azamacrocycle with formula C18H18FN5O2. It is a tyrosine kinase inhibitor (highly potent against ROS1, TRKA-C, and ALK) used for the treatment of locally advanced or metastatic ROS1-positive non-small cell lung cancer. It has a role as an antineoplastic agent and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is a secondary carboxamide, a cyclic ether, a pyrazolopyrimidine, an azamacrocycle and a member of monofluorobenzenes.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (3R,11S)-6-fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one
- CAS number
- 1802220-02-5
- EC number
- 875-681-8
- Molecular formula
- C18H18FN5O2
- UNII
- 08O3FQ4UNP
- InChIKey
- FIKPXCOQUIZNHB-WDEREUQCSA-N
- InChI
- InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1
- Canonical SMILES
- CC1CNC(=O)c2cnn3ccc(nc23)NC(C)c2cc(F)ccc2O1
- Isomeric SMILES
- C[C@H]1CNC(=O)C2=C3N=C(C=CN3N=C2)N[C@@H](C4=C(O1)C=CC(=C4)F)C
Synonyms
- Augtyro
- repotrectinibum
- (3R,11S)-6-fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one
- 1,15-Etheno-1H-pyrazolo(4,3-F)(1,4,8,10)benzoxatriazacyclotridecin-4(5H)-one, 11-fluoro-6,7,13,14-tetrahydro-7,13-dimethyl-, (7S,13R)-
- 1,15-Etheno-1H-pyrazolo(4,3-f)(1,4,8,10)benzoxatriazacyclotridecin-4(5H)-one, 11-fluoro-2,6,7,13-tetrahydro-7,13-dimethyl-, (14Z)-
- (3R,11S)-6-fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo(13.5.2.04,9.018,22)docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one
- (3R,6S,)-45-Fluoro-3,6-dimethyl-5-oxa-2,8-diaza-1(5,3)-pyrazolo(1,5-a)pyrimidina-4(1,2)-benzenanonaphan-9-one
- (3R,6S,)-45-Fluoro-3,6-dimethyl-5-oxa-2,8-diaza-1(5,3)-pyrazolo[1,5-a]pyrimidina-4(1,2)-benzenanonaphan-9-one
- Multikinase Inhibitor TPX-0005
- Multi-kinase Inhibitor TPX-0005
- ALK/ROS1/NTRK/SRC/FAK Multikinase Inhibitor TPX-0005
- Ropotrectinib
- 1,15-Etheno-1H-pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)-one,11-fluoro-6,7,13,14-tetrahydro-7,13-dimethyl-, (7S,13R)-
- Repotrectinib(TPX-005)
- (7S,13R)-11-fluoro-6,7,13,14-tetrahydro-7,13-dimethyl-1,15-etheno-1H-pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)-one
- (13E,14E,3R,6S)-45-fluoro-3,6-dimethyl-5-oxa-2,8-diaza-1(5,3)-pyrazolo[1,5-a]pyrimidina-4(1,2)-benzenacyclononaphan-9-one
- Repotrectinib (TPX-0005)
- Augtyro (TN)
- Repotrectinib (JAN/USAN)
- TPX 0005
- US10246466, Example 93
- example 93
- (2R)-2-[[6-(benzylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
- (1Z)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo(13.5.2.04,9.018,22)docosa-1,4,6,8,15,19,21-heptaen-14-one
- (3R,11S)-6-fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.0,.0,]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one
Show all 26 synonymsShow fewer synonyms
- (7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14- tetrahydro-1,15-ethenopyrazolo[4,3- f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)- 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 | 355.37 g/molcalc.Computed value |
|---|---|
| Exact mass | 355.1445 Dacalc.Computed value |
| LogP (octanol/water) | 2.55calc.Computed value |
| Topological polar surface area | 80.55 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 26calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.28calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
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.
Repotrectinib suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United States, Morristown ManufacturerUnclaimed profileRepotrectinibGrade, purity and minimum order on requestPrice on request
- China, Tianjin ManufacturerUnclaimed profileRepotrectinibGrade, purity and minimum order on requestPrice on request
- Switzerland, Evionnaz ManufacturerUnclaimed profileRepotrectinibGrade, purity and minimum order on requestPrice on request
- Switzerland, Monteggio ManufacturerUnclaimed profileRepotrectinibGrade, purity and minimum order on requestPrice on request
- China ManufacturerUnclaimed profileRepotrectinibGrade, purity and minimum order on requestPrice on request
- Germany, Hamburg ManufacturerUnclaimed profileRepotrectinibGrade, purity and minimum order on requestPrice on request
- China, Cangzhou ManufacturerUnclaimed profileRepotrectinibGrade, purity and minimum order on requestPrice on request
- China, GuangzhouUnclaimed profileRepotrectinibGrade, purity and minimum order on requestPrice on request
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
8 suppliers in 4 countries
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Repotrectinib 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
Industries and functions
Pharmacological actions
- Antineoplastic Agents
- Tyrosine Kinase Inhibitors
Roles
- antineoplastic agent
- enzyme inhibitor
- pharmaceutical
- protein kinase inhibitor
- tyrosine kinase inhibitor
Pharmacology
Repotrectinib is a Kinase Inhibitor. The mechanism of action of repotrectinib is as a Proto-Oncogene Tyrosine-Protein Kinase ROS1 Inhibitor, and Tropomyosin Receptor Tyrosine Kinase A Inhibitor, and Tropomyosin Receptor Tyrosine Kinase B Inhibitor, and Tropomyosin Receptor Tyrosine Kinase C Inhibitor, and Cytochrome P450 3A4 Inducer.
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- Active ingredient in FDA approved drug labels
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Repotrectinib is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for Repotrectinib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Same formula isomers
Different compounds that share this molecular formula
![1-(4-Fluorophenyl)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione chemical structure, C18H18FN5O2, CAS 296799-37-6](/s/MUJYPQNDVWXWQE-UHFFFAOYSA-N.svg)
![8-(4-Fluorophenyl)-1-methyl-3-(2-methylallyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione chemical structure, C18H18FN5O2, CAS 872839-76-4](/s/HVOFDEPSOOLGGX-UHFFFAOYSA-N.svg)
![N-Cyclopentyl-2-[1-(4-fluorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide chemical structure, C18H18FN5O2, CAS 852450-69-2](/s/GAUKTBGYYWJNLN-UHFFFAOYSA-N.svg)
![N-(2-(5-(3-Fluorobenzyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)cyclopropanecarboxamide chemical structure, C18H18FN5O2, CAS 922047-35-6](/s/RMUVUQIBFLHBNZ-UHFFFAOYSA-N.svg)
![N-(2-(5-(2-Fluorobenzyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)cyclopropanecarboxamide chemical structure, C18H18FN5O2, CAS 921889-80-7](/s/ZFEGRBMJQOWFLW-UHFFFAOYSA-N.svg)
![2-Fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide chemical structure, C18H18FN5O2, CAS 1002931-57-8](/s/AOULONUTYPKHLE-UHFFFAOYSA-N.svg)
![(Z)-N-(2-(5-(3-Fluorobenzyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)but-2-enamide chemical structure, C18H18FN5O2, CAS 1006776-02-8](/s/ACMOUJAZBDOPNL-RQOWECAXSA-N.svg)
![3-Ethyl-8-(4-fluorophenyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C18H18FN5O2, CAS 887458-77-7](/s/GGAYJEZEECYTFP-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Repotrectinib, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Repotrectinib
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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