Ecabet structure
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Common Name | Ecabet | ||
|---|---|---|---|---|
| CAS Number | 33159-27-2 | Molecular Weight | 380.49800 | |
| Density | 1.241 g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C20H28O5S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Use of EcabetEcabet sodium (TA-2711) is currently applied to some clinical gastrointestinal disease by inhibiting the ROS production and improving Helicobacter pylori eradication[1]. Ecabet sodium reduces apoptosis[2] |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Ecabet sodium (TA-2711) is currently applied to some clinical gastrointestinal disease by inhibiting the ROS production and improving Helicobacter pylori eradication[1]. Ecabet sodium reduces apoptosis[2] |
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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 | 1.241 g/cm3 |
|---|---|
| Molecular Formula | C20H28O5S |
| Molecular Weight | 380.49800 |
| Exact Mass | 380.16600 |
| PSA | 100.05000 |
| LogP | 5.23240 |
| Index of Refraction | 1.562 |
| InChIKey | IWCWQNVIUXZOMJ-MISYRCLQSA-N |
| SMILES | CC(C)c1cc2c(cc1S(=O)(=O)O)C1(C)CCCC(C)(C(=O)O)C1CC2 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
Ecabet CAS#:33159-27-2 |
| Literature: Journal of the American Chemical Society, , vol. 63, p. 1759 Journal of the American Chemical Society, , vol. 61, p. 247 Journal of the American Chemical Society, , vol. 63, p. 1838,1841 Journal of the American Chemical Society, , vol. 60, p. 2631,2633 Journal of the American Chemical Society, , vol. 61, p. 2528,2530 |
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Ecabet CAS#:33159-27-2 |
| Literature: Journal of the American Chemical Society, , vol. 61, p. 247 Journal of the American Chemical Society, , vol. 60, p. 2631,2633 Journal of the American Chemical Society, , vol. 61, p. 2528,2530 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 1 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Ecabet |
| sulfodehydroabietic acid |
| Ecabetum |
| Gastrom |
| 12-sulfodehydroabietic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid? |
| A: Related upstream materials(CAS) of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid: 1740-19-8;514-10-3. |
| Q: What is the LogP of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid? |
| A: LogP of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid is 5.23240. |
| Q: What is the CAS number of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid? |
| A: CAS number of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid is 33159-27-2. |
| Q: What are the downstream products of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid? |
| A: Related downstream products(CAS) of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid: 1740-19-8. |
| Q: What is the polar surface area (PSA) of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid? |
| A: Polar surface area (PSA) of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid is 100.05000. |
| Q: What English synonyms does (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid have? |
| A: English synonyms of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid: Ecabet, sulfodehydroabietic acid, Ecabetum, Gastrom, 12-sulfodehydroabietic acid. |
| Q: What is the molecular formula of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid? |
| A: Molecular formula of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid is C20H28O5S. |
| Q: What are the uses of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid? |
| A: Main uses of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid: Ecabet sodium (TA-2711) is currently applied to some clinical gastrointestinal disease by inhibiting the ROS production and improving Helicobacter pylori eradication[1]. Ecabet sodium reduces apoptosis[2]. |
| Q: What is the InChIKey of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid? |
| A: InChIKey of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid is IWCWQNVIUXZOMJ-MISYRCLQSA-N. |
| Q: What is the English name of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid? |
| A: The English name of (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid is (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |