2-(2-METHYL-4-NITRO-IMIDAZOL-1-YL)-ETHANOL
2-(2-METHYL-4-NITRO-IMIDAZOL-1-YL)-ETHANOL structure
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Common Name | 2-(2-METHYL-4-NITRO-IMIDAZOL-1-YL)-ETHANOL | ||
|---|---|---|---|---|
| CAS Number | 705-19-1 | Molecular Weight | 171.15400 | |
| Density | 1.45 g/cm3 | Boiling Point | 405.4ºC at 760 mmHg | |
| Molecular Formula | C6H9N3O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 199ºC | |
Use of 2-(2-METHYL-4-NITRO-IMIDAZOL-1-YL)-ETHANOLIsometronidazole is a hypoxic cell sensitizer. Isometronidazole (750 mg/kg) shows an efficacy as a hypoxic cell sensitizer in severely hypoxic FaDu tumors but not in less hypoxic GL tumors. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(2-methyl-4-nitroimidazol-1-yl)ethanol |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Isometronidazole is a hypoxic cell sensitizer. Isometronidazole (750 mg/kg) shows an efficacy as a hypoxic cell sensitizer in severely hypoxic FaDu tumors but not in less hypoxic GL tumors. |
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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 | 1.45 g/cm3 |
|---|---|
| Boiling Point | 405.4ºC at 760 mmHg |
| Molecular Formula | C6H9N3O3 |
| Molecular Weight | 171.15400 |
| Flash Point | 199ºC |
| Exact Mass | 171.06400 |
| PSA | 83.87000 |
| LogP | 0.61520 |
| Index of Refraction | 1.612 |
| InChIKey | RSXWJXPKLRYMHW-UHFFFAOYSA-N |
| SMILES | Cc1nc([N+](=O)[O-])cn1CCO |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~22%
2-(2-METHYL-4-N... CAS#:705-19-1 |
| Literature: Kim, Pilho; Zhang, Liang; Manjunatha, Ujjini H.; Singh, Ramandeep; Patel, Sejal; Jiricek, Jan; Keller, Thomas H.; Boshoff, Helena I.; Barry III, Clifton E.; Dowd, Cynthia S. Journal of Medicinal Chemistry, 2009 , vol. 52, # 5 p. 1317 - 1328 |
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~93%
2-(2-METHYL-4-N... CAS#:705-19-1 |
| Literature: Liu; Chen; Cao; Li Synthetic Communications, 1993 , vol. 23, # 18 p. 2611 - 2615 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 5 | |
CAS#:3530-15-2
CAS#:3327-62-6
CAS#:89128-08-5
CAS#:1615-15-2![2-[5-(2-AMINO-ETHYLSULFANYL)-2-METHYL-IMIDAZOL-1-YL]-ETHANOL structure](https://image.chemsrc.com/caspic/149/78949-90-3.png)
CAS#:78949-90-3This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| R.P. 8979 |
| Izoklion |
| 1H-Imidazole-1-ethanol,2-methyl-4-nitro |
| 2-methyl-4-nitroimidazole-1-ethanol |
| 2-Methyl-4-nitro-1H-imidazole-1-ethanol |
| Isometronidazole |
| 1-(2-hydroxyethyl)-2-methyl-4-nitro-1H-imidazole |
| 2-(2-Methyl-4-nitro-imidazol-1-yl)-ethanol |
| 2-(2-methyl-4-nitro-1H-imidazol-1-yl)ethanol |
| Imidazole-1-ethanol,2-methyl-4-nitro |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol? |
| A: The English name of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol is 2-(2-methyl-4-nitroimidazol-1-yl)ethanol. |
| Q: What is the molecular weight of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol? |
| A: Molecular weight of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol is 171.15400. |
| Q: What are the upstream materials of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol? |
| A: Related upstream materials(CAS) of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol: 696-23-1;540-51-2;107-07-3. |
| Q: What is the polar surface area (PSA) of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol? |
| A: Polar surface area (PSA) of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol is 83.87000. |
| Q: What is the InChIKey of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol? |
| A: InChIKey of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol is RSXWJXPKLRYMHW-UHFFFAOYSA-N. |
| Q: What is the boiling point of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol? |
| A: Boiling point of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol is 405.4ºC at 760 mmHg. |
| Q: What are the downstream products of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol? |
| A: Related downstream products(CAS) of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol: 3530-15-2;3327-62-6;89128-08-5;1615-15-2;78949-90-3. |
| Q: What are the uses of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol? |
| A: Main uses of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol: Isometronidazole is a hypoxic cell sensitizer. Isometronidazole (750 mg/kg) shows an efficacy as a hypoxic cell sensitizer in severely hypoxic FaDu tumors but not in less hypoxic GL tumors. |
| Q: What is the SMILES notation of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol? |
| A: SMILES notation of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol is Cc1nc([N+](=O)[O-])cn1CCO. |
| Q: What is the CAS number of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol? |
| A: CAS number of 2-(2-methyl-4-nitroimidazol-1-yl)ethanol is 705-19-1. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |