Tegafur structure
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Common Name | Tegafur | ||
|---|---|---|---|---|
| CAS Number | 17902-23-7 | Molecular Weight | 200.167 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C8H9FN2O3 | Melting Point | 171-173 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | N/A | |
| Symbol |
GHS06 |
Signal Word | Danger | |
Use of TegafurTegafur (also known as Ftorafur) is a chemotherapeutic 5-FU prodrug used in the treatment of cancers; is a component of tegafur-uracil. IC50 value: Target: Nucleoside antimetabolite/analogTegafur is bioactivated to 5-FU by liver microsomal cytochrome P450 enzymes. 5-FU is subsequently converted into its active metabolites 5-fluoro-deoxyuridine-monophosphate (FdUMP) and 5-fluorouridine-triphosphate (FUTP) intracellularly; these metabolites inhibit the enzyme thymidylate synthase and intercalate into RNA, resulting in decreased thymidine synthesis, reduced DNA synthesis, disrupted RNA function, and tumor cell cytotoxicity. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Tegafur |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Tegafur (also known as Ftorafur) is a chemotherapeutic 5-FU prodrug used in the treatment of cancers; is a component of tegafur-uracil. IC50 value: Target: Nucleoside antimetabolite/analogTegafur is bioactivated to 5-FU by liver microsomal cytochrome P450 enzymes. 5-FU is subsequently converted into its active metabolites 5-fluoro-deoxyuridine-monophosphate (FdUMP) and 5-fluorouridine-triphosphate (FUTP) intracellularly; these metabolites inhibit the enzyme thymidylate synthase and intercalate into RNA, resulting in decreased thymidine synthesis, reduced DNA synthesis, disrupted RNA function, and tumor cell cytotoxicity. |
|---|---|
| Related Catalog | |
| References |
[5]. Tegafur-uracil |
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 |
|---|---|
| Melting Point | 171-173 °C(lit.) |
| Molecular Formula | C8H9FN2O3 |
| Molecular Weight | 200.167 |
| Exact Mass | 200.059723 |
| PSA | 64.09000 |
| LogP | -0.77 |
| Index of Refraction | 1.557 |
| InChIKey | WFWLQNSHRPWKFK-UHFFFAOYSA-N |
| SMILES | O=c1[nH]c(=O)n(C2CCCO2)cc1F |
| Storage condition | 2-8°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H311-H331 |
| Precautionary Statements | P261-P280-P301 + P310-P311 |
| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| Hazard Codes | T:Toxic |
| Risk Phrases | R23/24/25 |
| Safety Phrases | S22-S36/37/39-S45 |
| RIDADR | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | YR0450000 |
| HS Code | 2942000000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 8 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Synergistic antitumor effects of S-1 with eribulin in vitro and in vivo for triple-negative breast cancer cell lines.
Springerplus 3 , 417, (2014) Triple-negative breast cancer (TNBC) is associated with a higher incidence of recurrence and distant metastasis and a poor prognosis, whereas effective treatment strategies remain to be established. F... |
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Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
Chem. Res. Toxicol. 23 , 171-83, (2010) Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental... |
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Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs.
Eur. J. Med. Chem. 43 , 478-85, (2008) Values of in vitro gas to lung partition coefficients, K(lung), of VOCs have been collected from the literature. For 44 VOCs, application of the Abraham solvation equation to log K(lung) yielded a cor... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| riol |
| neberk |
| Tegafur |
| EXONAL |
| 5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione |
| tetrahydrofuryl-5-fluorouracil |
| MFCD00012351 |
| 5-Fluoro-1-(tetrahydro-2-furanyl)-2,4(1H,3H)-pyrimidinedione |
| Carzonal |
| fulaid |
| lifril |
| EINECS 241-846-2 |
| 5-fluoro-1-tetrahydrofuran-2-ylpyrimidine-2,4(1H,3H)-dione |
| FT-207 |
| 5-Fluoro-1-(tetrahydro-2-furyl)uracil |
| 5-Fluoro-1-(tetrahydro-2-furfuryl)uracil |
| FENTAL |
| Fluaid |
| lamar |
| N1-(2'-Furanidyl)-5-fluorouracil |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does Tegafur have? |
| A: English synonyms of Tegafur: riol, neberk, Tegafur, EXONAL, 5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione, tetrahydrofuryl-5-fluorouracil, MFCD00012351, 5-Fluoro-1-(tetrahydro-2-furanyl)-2,4(1H,3H)-pyrimidinedione, Carzonal, fulaid, lifril, EINECS 241-846-2, 5-fluoro-1-tetrahydrofuran-2-ylpyrimidine-2,4(1H,3H)-dione, FT-207, 5-Fluoro-1-(tetrahydro-2-furyl)uracil, 5-Fluoro-1-(tetrahydro-2-furfuryl)uracil, FENTAL, Fluaid, lamar, N1-(2'-Furanidyl)-5-fluorouracil. |
| Q: What are the storage conditions for Tegafur? |
| A: Storage conditions for Tegafur: 2-8°C. |
| Q: What is the LogP of Tegafur? |
| A: LogP of Tegafur is -0.77. |
| Q: What are the downstream products of Tegafur? |
| A: Related downstream products(CAS) of Tegafur: 51-21-8;109-99-9;110-00-9;68723-23-9;66067-15-0;66067-14-9;55185-82-5;82178-07-2. |
| Q: What is the molecular weight of Tegafur? |
| A: Molecular weight of Tegafur is 200.167. |
| Q: What is the InChIKey of Tegafur? |
| A: InChIKey of Tegafur is WFWLQNSHRPWKFK-UHFFFAOYSA-N. |
| Q: What is the melting point of Tegafur? |
| A: Melting point of Tegafur is 171-173 °C(lit.). |
| Q: What is the English name of Tegafur? |
| A: The English name of Tegafur is Tegafur. |
| Q: What is the molecular formula of Tegafur? |
| A: Molecular formula of Tegafur is C8H9FN2O3. |
| Q: What is the CAS number of Tegafur? |
| A: CAS number of Tegafur is 17902-23-7. |
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. |