Diclofenac diethylammonium salt
Diclofenac diethylammonium salt structure
|
Common Name | Diclofenac diethylammonium salt | ||
|---|---|---|---|---|
| CAS Number | 78213-16-8 | Molecular Weight | 369.285 | |
| Density | N/A | Boiling Point | 412ºC at 760 mmHg | |
| Molecular Formula | C18H22Cl2N2O2 | Melting Point | 145-148ºC | |
| MSDS | N/A | Flash Point | 203ºC | |
Use of Diclofenac diethylammonium saltDiclofenac diethylamine is a potent and nonselective anti-inflammatory agent, acts as a COX inhibitor, with IC50s of 4 nM, 1.3 nM for human COX-1 and COX-2 in CHO cells, and 5.1, 0.84 μM for ovine COX-1 and COX-2, respectively. |
Summary: Diclofenac diethylamine (CAS: 78213-16-8), molecular formula: C18H22Cl2N2O2, molecular weight: 369.285. White to light yellow powder or crystalline solid, melting point 145-148℃. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Diclofenac diethylamine |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Diclofenac diethylamine is a potent and nonselective anti-inflammatory agent, acts as a COX inhibitor, with IC50s of 4 nM, 1.3 nM for human COX-1 and COX-2 in CHO cells, and 5.1, 0.84 μM for ovine COX-1 and COX-2, respectively. |
|---|---|
| Related Catalog | |
| Target |
Human COX-2:1.3 nM (IC50, in CHO cells) Human COX-1:4 nM (IC50, in CHO cells) Ovine COX-2:0.84 μM (IC50) Ovine COX-1:5.1 μM (IC50) |
| In Vitro | Diclofenac diethylamine is a potent COX inhibitor, with IC50s of 4 nM and 1.3 nM for human COX-1 and COX-2 in the CHO cells, respectively. Diclofenac effectively blocks COX-1 mediated prostanoid production from U937 cell microsomes, with an IC50 of 7 ± 3 nM[1]. Diclofenac sodium exihibits inhibition on COX-1 and COX-2 enzyme with IC50s of 5.1 and 0.84 μM, respectively[2]. |
| In Vivo | Diclofenac (3 mg/kg, b.i.d., for 5 days) significantly increases faecal 51Cr excretion in rats, and such effect is also observed in squirrel monkeys after administrated of 1 mg/kg twice daily for 4 days[1]. Diclofenac (10 mg/kg) shows anti-inflammatory activity in mice[2]. Diclofenac (10 mg/kg) decreases oxidized low-densitylipoprotein (Ox-LDL), but shows no effects on the kinetics parameters of catalase and glutathione peroxidase via intramuscularly injection into rats[3]. |
| Animal Admin | Rats[1] Male Sprague-Dawley rats (150 ± 200 g) are dosed orally with Diclofenac either once (acute dosing) or twice daily for 5 days (chronic dosing). A plasma sample is obtained 1 h after the morning dose on day 4 for measurement of Diclofenac concentration. Immediately after the administration of the last dose on day 5, the rats are injected via a tail vein with 0.5 mL of 51Cr-labelled red blood cells from a donor rat after incubation with sodium 51chromate. The rats are placed individually in metabolism cages with food and water ad libitum. Faeces are collected for a 48 h period and 51Cr faecal excretion is calculated as a % of total injected dose (20 mCi per animal)[1]. Squirrel monkeys[1] Squirrel monkeys (Saimiri sciureus; 0.8 ± 1.4 kg) are dosed orally with Diclofenac twice daily for 1 ± 5 days. One hour after administration of the last dose, 51CrCl3 in sterile saline (1 mL/kg, 4 ± 5 mCi per animal) is injected via a saphenous vein and plasma samples are obtained for measurement of Diclofenac concentration. The monkeys are then housed individually in metabolism cages. Faeces are collected for a 24 h period and 51Cr faecal excretion is calculated as a % of total injected dose[1]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Boiling Point | 412ºC at 760 mmHg |
|---|---|
| Melting Point | 145-148ºC |
| Molecular Formula | C18H22Cl2N2O2 |
| Molecular Weight | 369.285 |
| Flash Point | 203ºC |
| Exact Mass | 368.105835 |
| PSA | 61.36000 |
| LogP | 5.44380 |
| InChIKey | ZQVZPANTCLRASL-UHFFFAOYSA-N |
| SMILES | CCNCC.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2942000000 |
|---|
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2942000000 |
|---|
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
|
|
Name: MELAS cybrid survival enhancement under low glucose conditions
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1419
|
|
Name: Stabilization of p53 in human papillomavirus-positive cells
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Cellular tumor antigen p53
External Id: HMS1485
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| N-ethylethanaminium {2-[(2,6-dichlorophenyl)amino]phenyl}acetate |
| Diclofenac diethylamine |
| n-ethylethanamine 2-[(2,6-dichlorophenyl)amino]benzeneacetate |
| UNII-6TGQ35Z71K |
| 2-[(2,6-dichlorophenyl)amino]-benzeneacetic acid compd. with n-ethylethanamine (1:1) |
| 2-[(2,6-dichlorophenyl)amino]-benzeneacetic acid compd. with n-ethylethanamine |
| Diclofenac (diethylamine) |
| MFCD01862249 |
| Voltarol |
| {2-[(2,6-Dichlorophenyl)amino]phenyl}acetic acid - N-ethylethanamine (1:1) |
| Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, compd. with N-ethylethanamine (1:1) |
| 2-[2-(2,6-dichloroanilino)phenyl]acetic acid |
| Diclofenac diethylammonium salt |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of Diclofenac diethylamine? |
| A: SMILES notation of Diclofenac diethylamine is CCNCC.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl. |
| Q: What is the polar surface area (PSA) of Diclofenac diethylamine? |
| A: Polar surface area (PSA) of Diclofenac diethylamine is 61.36000. |
| Q: What is the melting point of Diclofenac diethylamine? |
| A: Melting point of Diclofenac diethylamine is 145-148ºC. |
| Q: What are the uses of Diclofenac diethylamine? |
| A: Main uses of Diclofenac diethylamine: Diclofenac diethylamine is a potent and nonselective anti-inflammatory agent, acts as a COX inhibitor, with IC50s of 4 nM, 1.3 nM for human COX-1 and COX-2 in CHO cells, and 5.1, 0.84 μM for ovine COX-1 and COX-2, respectively. |
| Q: What is the molecular weight of Diclofenac diethylamine? |
| A: Molecular weight of Diclofenac diethylamine is 369.285. |
| Q: What is the LogP of Diclofenac diethylamine? |
| A: LogP of Diclofenac diethylamine is 5.44380. |
| Q: What is the molecular formula of Diclofenac diethylamine? |
| A: Molecular formula of Diclofenac diethylamine is C18H22Cl2N2O2. |
| Q: What is the CAS number of Diclofenac diethylamine? |
| A: CAS number of Diclofenac diethylamine is 78213-16-8. |
| Q: What is the InChIKey of Diclofenac diethylamine? |
| A: InChIKey of Diclofenac diethylamine is ZQVZPANTCLRASL-UHFFFAOYSA-N. |
| Q: What is the English name of Diclofenac diethylamine? |
| A: The English name of Diclofenac diethylamine is Diclofenac diethylamine. |
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. |
| Henan Tianfu Chemical Co., Ltd. |