2',2'-Difluoro-2'-deoxyuridine
2',2'-Difluoro-2'-deoxyuridine structure
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Common Name | 2',2'-Difluoro-2'-deoxyuridine | ||
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| CAS Number | 114248-23-6 | Molecular Weight | 264.183 | |
| Density | 1.7±0.1 g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C9H10F2N2O5 | Melting Point | 147-149ºC | |
| MSDS | N/A | Flash Point | N/A | |
Use of 2',2'-Difluoro-2'-deoxyuridine2′,2′-Difluorodeoxyuridine (dFdU) is the main metabolite of Gemcitabine (HY-17026). 2′,2′-Difluorodeoxyuridine causes a concentration- and schedule- dependent radiosensitising effect in vitro[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2',2'-Difluoro-2'-deoxyuridine |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 2′,2′-Difluorodeoxyuridine (dFdU) is the main metabolite of Gemcitabine (HY-17026). 2′,2′-Difluorodeoxyuridine causes a concentration- and schedule- dependent radiosensitising effect in vitro[1]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.7±0.1 g/cm3 |
|---|---|
| Melting Point | 147-149ºC |
| Molecular Formula | C9H10F2N2O5 |
| Molecular Weight | 264.183 |
| Exact Mass | 264.055786 |
| PSA | 104.55000 |
| LogP | -0.53 |
| Index of Refraction | 1.587 |
| InChIKey | FIRDBEQIJQERSE-QPPQHZFASA-N |
| SMILES | O=c1ccn(C2OC(CO)C(O)C2(F)F)c(=O)[nH]1 |
| Storage condition | -20°C Freezer |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~94%
2',2'-Difluoro-... CAS#:114248-23-6 |
| Literature: ALIOS BIOPHARMA, INC.; Beigelman, Leonid; Wang, Guangyi; Smith, David Bernard; Deval, Jerome; Prhavc, Marija Patent: US2013/165400 A1, 2013 ; Location in patent: Paragraph 0420; 0421 ; |
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~91%
2',2'-Difluoro-... CAS#:114248-23-6 |
| Literature: Chou; Heath; Patterson; Poteet; Lakin; Hunt Synthesis, 1992 , # 6 p. 565 - 570 |
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2',2'-Difluoro-... CAS#:114248-23-6 |
| Literature: US2013/165400 A1, ; |
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2',2'-Difluoro-... CAS#:114248-23-6 |
| Literature: US2013/165400 A1, ; |
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2',2'-Difluoro-... CAS#:114248-23-6 |
| Literature: Journal of Organic Chemistry, , vol. 53, # 11 p. 2406 - 2409 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
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| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Drug metabolism assessed as intrinsic clearance for dFdU monophosphorylation formatio...
Source: ChEMBL
Target: Deoxycytidine kinase
External Id: CHEMBL3541984
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-(2-Deoxy-2,2-difluoro-β-D-erythro-pentofuranosyl)-4-hydroxy-2(1H)-pyrimidinone |
| Gemcitabine impurity C |
| 2',2'-Difluoro-2'-deoxyuridine |
| 2′,2′-difluorodeoxyuridine |
| 2'-Deoxy-2',2'-difluorouridine |
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 2',2'-Difluoro-2'-deoxyuridine? |
| A: Storage conditions for 2',2'-Difluoro-2'-deoxyuridine: -20°C Freezer. |
| Q: What is the SMILES notation of 2',2'-Difluoro-2'-deoxyuridine? |
| A: SMILES notation of 2',2'-Difluoro-2'-deoxyuridine is O=c1ccn(C2OC(CO)C(O)C2(F)F)c(=O)[nH]1. |
| Q: What is the LogP of 2',2'-Difluoro-2'-deoxyuridine? |
| A: LogP of 2',2'-Difluoro-2'-deoxyuridine is -0.53. |
| Q: What is the melting point of 2',2'-Difluoro-2'-deoxyuridine? |
| A: Melting point of 2',2'-Difluoro-2'-deoxyuridine is 147-149ºC. |
| Q: What English synonyms does 2',2'-Difluoro-2'-deoxyuridine have? |
| A: English synonyms of 2',2'-Difluoro-2'-deoxyuridine: 1-(2-Deoxy-2,2-difluoro-β-D-erythro-pentofuranosyl)-4-hydroxy-2(1H)-pyrimidinone, Gemcitabine impurity C, 2',2'-Difluoro-2'-deoxyuridine, 2′,2′-difluorodeoxyuridine, 2'-Deoxy-2',2'-difluorouridine. |
| Q: What are the upstream materials of 2',2'-Difluoro-2'-deoxyuridine? |
| A: Related upstream materials(CAS) of 2',2'-Difluoro-2'-deoxyuridine: 143157-27-1;1201895-94-4;122111-03-9;103882-84-4. |
| Q: What is the English name of 2',2'-Difluoro-2'-deoxyuridine? |
| A: The English name of 2',2'-Difluoro-2'-deoxyuridine is 2',2'-Difluoro-2'-deoxyuridine. |
| Q: What are the uses of 2',2'-Difluoro-2'-deoxyuridine? |
| A: Main uses of 2',2'-Difluoro-2'-deoxyuridine: 2′,2′-Difluorodeoxyuridine (dFdU) is the main metabolite of Gemcitabine (HY-17026). 2′,2′-Difluorodeoxyuridine causes a concentration- and schedule- dependent radiosensitising effect in vitro[1]. |
| Q: What is the CAS number of 2',2'-Difluoro-2'-deoxyuridine? |
| A: CAS number of 2',2'-Difluoro-2'-deoxyuridine is 114248-23-6. |
| Q: What is the InChIKey of 2',2'-Difluoro-2'-deoxyuridine? |
| A: InChIKey of 2',2'-Difluoro-2'-deoxyuridine is FIRDBEQIJQERSE-QPPQHZFASA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |