Repotrectinib
Repotrectinib structure
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Common Name | Repotrectinib | ||
|---|---|---|---|---|
| CAS Number | 1802220-02-5 | Molecular Weight | 355.366 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C18H18FN5O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Use of RepotrectinibRepotrectinib (TPX-0005) is a potent ALK/ROS1/TRK inhibitor, with IC50 of 5.3 nM, 1.01 nM, 1.26 nM and 1.08 nM for SRC, WT ALK, ALK G1202R and ALK L1196M, respectively. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | TPX-0005 |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Repotrectinib (TPX-0005) is a potent ALK/ROS1/TRK inhibitor, with IC50 of 5.3 nM, 1.01 nM, 1.26 nM and 1.08 nM for SRC, WT ALK, ALK G1202R and ALK L1196M, respectively. |
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| Related Catalog | |
| Target |
IC50: 5.3 nM (SRC), 1.01 nM (WT ALK), 1.26 nM (ALK G1202R), 1.08 nM (ALK L1196M)[1] |
| In Vitro | Repotrectinib (TPX-0005) effectively overcomes this primary resistance (IC50 100 nM in cell proliferation assay) with strong inhibition of the phosphorylation of EML4-ALK (IC50 13 nM) and the SRC substrate paxillin (IC50 107 nM). Repotrectinib inhibits H2228 cell migration in a wound healing assay with similar activity to saracatinib[1]. |
| In Vivo | Repotrectinib (TPX-0005) effectively inhibits tumor growth in vivo in ALK WT and ALK G1202R xenografts[1]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Molecular Formula | C18H18FN5O2 |
| Molecular Weight | 355.366 |
| Exact Mass | 355.144440 |
| LogP | 1.71 |
| Index of Refraction | 1.694 |
| Storage condition | -20℃ |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | N |
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of TrKA G667C mutant (unknown origin) incubated for 120 mins in presence o...
Source: ChEMBL
Target: High affinity nerve growth factor receptor
External Id: CHEMBL5035182
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Name: Inhibition of TrKA G595R mutant (unknown origin) incubated for 120 mins in presence o...
Source: ChEMBL
Target: High affinity nerve growth factor receptor
External Id: CHEMBL5035181
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Name: Inhibition of TrKA (unknown origin) incubated for 120 mins in presence of 33P-ATP
Source: ChEMBL
Target: High affinity nerve growth factor receptor
External Id: CHEMBL5035180
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Name: Cytotoxicity counterscreen for inhibitors of SARS-CoV-2 cell entry
Source: NCGC
Target: N/A
External Id: TRND-SARS-CoV-2-cytotox-48hr
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Name: Primary qHTS to identify inhibitors of SARS-CoV-2 cell entry
Source: NCGC
External Id: TRND-SARS-CoV-2-PP
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Name: Inhibition of wild type TRKA (unknown origin)
Source: ChEMBL
Target: High affinity nerve growth factor receptor
External Id: CHEMBL5146064
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Name: Inhibition of ALK L1196M/G1202R mutant (unknown origin)
Source: ChEMBL
Target: N/A
External Id: CHEMBL5259902
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Name: qHTS drug screen for cell cycle checkpoint inhibitors in PARPi-resistant BRCA-mutant ...
Source: NCGC
External Id: FGL-PARP_PEO-CTG96h-MIPE5.0-p1
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Name: Inhibition of ALK G1202R mutant (unknown origin)
Source: ChEMBL
Target: ALK tyrosine kinase receptor
External Id: CHEMBL5259901
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Name: Kinase Binding Assays from US Patent US10618912: "Diaryl macrocycles as modulators of...
Source: BindingDB
Target: N/A
External Id: BindingDB_9063_1
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 08O3FQ4UNP |
| (3R,11S)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one |
| Repotrectinib |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the storage conditions for TPX-0005? |
| A: Storage conditions for TPX-0005: -20℃. |
| Q: What is the English name of TPX-0005? |
| A: The English name of TPX-0005 is TPX-0005. |
| Q: What is the CAS number of TPX-0005? |
| A: CAS number of TPX-0005 is 1802220-02-5. |
| Q: What is the molecular formula of TPX-0005? |
| A: Molecular formula of TPX-0005 is C18H18FN5O2. |
| Q: What are the uses of TPX-0005? |
| A: Main uses of TPX-0005: Repotrectinib (TPX-0005) is a potent ALK/ROS1/TRK inhibitor, with IC50 of 5.3 nM, 1.01 nM, 1.26 nM and 1.08 nM for SRC, WT ALK, ALK G1202R and ALK L1196M, respectively. |
| Q: What is the molecular weight of TPX-0005? |
| A: Molecular weight of TPX-0005 is 355.366. |
| Q: What is the LogP of TPX-0005? |
| A: LogP of TPX-0005 is 1.71. |
| Q: What English synonyms does TPX-0005 have? |
| A: English synonyms of TPX-0005: 08O3FQ4UNP, (3R,11S)-6-Fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentaazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4,6,8,15(22),16,19-heptaen-14-one, Repotrectinib. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Henan Tianfu Chemical Co., Ltd. |