2-Chloro-N-(3,4-dimethoxybenzyl)acetamide
2-Chloro-N-(3,4-dimethoxybenzyl)acetamide structure
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Common Name | 2-Chloro-N-(3,4-dimethoxybenzyl)acetamide | ||
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| CAS Number | 65836-72-8 | Molecular Weight | 243.68700 | |
| Density | 1.194g/cm3 | Boiling Point | 425.7ºC at 760 mmHg | |
| Molecular Formula | C11H14ClNO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 211.3ºC | |
Use of 2-Chloro-N-(3,4-dimethoxybenzyl)acetamideDKM 2-93 is a relatively selective inhibitor of UBA5 with an IC50 of 430 μM. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide |
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| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | DKM 2-93 is a relatively selective inhibitor of UBA5 with an IC50 of 430 μM. |
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| Related Catalog | |
| Target |
IC50: 430 μM (UBA5), 90 μM (PaCa2 cells), 30 μM (Panc1 cells)[1] |
| In Vitro | Ubiquitin-like modifier activating enzyme 5 (UBA5) is a novel pancreatic cancer therapeutic target. DKM 2-93 impairs pancreatic cancer cell survival through covalently modifying the catalytic cysteine of UBA5, thereby inhibiting its activity as a protein that activates the ubiquitin-like protein UFM1 to UFMylate proteins. DKM 2-93 inhibits PaCa2 and Panc1 cells survival with IC50s of 90 and 30 μM, respectively[1]. |
| In Vivo | DKM 2-93 daily treatment significantly impairs tumor growth of PaCa2 cells in vivo in tumor xenograft studies in immune-deficient mice without causing any weight loss or overt toxicity[1]. |
| Cell Assay | PaCa2 and Panc1 cells are treated with 0-1000 μM DKM 2-93 for 48 hours. Cell viability is assessed by Hoescht stain[1]. |
| Animal Admin | Mice: Mice are subcutaneously injected with PaCa2 cells to initiate the tumor xenograft study and treatments of mice are initiated with vehicle or DKM 2-93 (50 mg/kg ip, once per day) three days after injection of cancer cells[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 | 1.194g/cm3 |
|---|---|
| Boiling Point | 425.7ºC at 760 mmHg |
| Molecular Formula | C11H14ClNO3 |
| Molecular Weight | 243.68700 |
| Flash Point | 211.3ºC |
| Exact Mass | 243.06600 |
| PSA | 47.56000 |
| LogP | 1.94970 |
| Index of Refraction | 1.522 |
| InChIKey | CETPWRGZGWGPSV-UHFFFAOYSA-N |
| SMILES | COc1ccc(CNC(=O)CCl)cc1OC |
| Storage condition | 2-8℃ |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
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| HS Code | 2924299090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~87%
2-Chloro-N-(3,4... CAS#:65836-72-8 |
| Literature: Huynh, Tracey; Valant, Celine; Crosby, Ian T.; Sexton, Patrick M.; Christopoulos, Arthur; Capuano, Ben Journal of Medicinal Chemistry, 2013 , vol. 56, # 20 p. 8196 - 8200 |
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~%
2-Chloro-N-(3,4... CAS#:65836-72-8 |
| Literature: Quevedo, Rodolfo; Baquero, Edwin; Rodriguez, Mario Tetrahedron Letters, 2010 , vol. 51, # 13 p. 1774 - 1778 |
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~%
2-Chloro-N-(3,4... CAS#:65836-72-8 |
| Literature: Jacobs; Heidelberger Journal of Biological Chemistry, 1915 , vol. 20, p. 674 |
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~%
2-Chloro-N-(3,4... CAS#:65836-72-8 |
| Literature: Monti Gazzetta Chimica Italiana, 1930 , vol. 60, p. 777,778 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2924299090 |
|---|---|
| Summary | 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Chlor-essigsaeure-veratrylamid |
| N-chloroacetyl-3,4-dimethoxybenzylamine |
| C-Chlor-N-veratryl-acetamid |
| 2-chloro-N-(3,4-dimethoxybenzyl)acetamide |
| chloro-acetic acid veratrylamide |
| N-(3.4-Dimethoxy-benzyl)-chloracetamid |
| 2-Chloro-N-((3,4-dimethoxyphenyl)methyl)acetamide |
| N-(Dimethoxy-3,4 benzyl)-chloroacetamide [French] |
| Acetamide,2-chloro-N-((3,4-dimethoxyphenyl)methyl) |
| N-Chloracetyl-(3,4-dimethoxyphenyl)methylamin |
| DKM 2-93 |
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-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide? |
| A: The English name of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide is 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide. |
| Q: What are the storage conditions for 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide? |
| A: Storage conditions for 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide: 2-8℃. |
| Q: What are the uses of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide? |
| A: Main uses of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide: DKM 2-93 is a relatively selective inhibitor of UBA5 with an IC50 of 430 μM. |
| Q: What is the CAS number of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide? |
| A: CAS number of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide is 65836-72-8. |
| Q: What is the InChIKey of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide? |
| A: InChIKey of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide is CETPWRGZGWGPSV-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide? |
| A: Polar surface area (PSA) of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide is 47.56000. |
| Q: What is the molecular weight of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide? |
| A: Molecular weight of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide is 243.68700. |
| Q: What is the molecular formula of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide? |
| A: Molecular formula of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide is C11H14ClNO3. |
| Q: What is the boiling point of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide? |
| A: Boiling point of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide is 425.7ºC at 760 mmHg. |
| Q: What is the LogP of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide? |
| A: LogP of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide is 1.94970. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |