CAS Number66898-62-2
Synonyms3-oxo-1,3-dihydro-2-benzofuran-1-yl 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylate; Talniflumate; Phthalidyl 2-(a,a,a-Trifluoro-m-toluidino)nicotinate; Lomucin; Somalgen; Purotoxin 1; BA 7602-06; 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 2-{[3-(trifluoromethyl)phenyl]amino}nicotinate
Molecular FormulaC21H13F3N2O4
Molecular Weight414.33
Purity≥98 (HPLC)%
Density1.5±0.1 g/cm3
Boiling Point534.6±50.0 °C at 760 mmHg
Melting Point165-167ºC
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 66898-62-2 |
| Catalog No. | 2A-9012569 |
| Chinese Name | 他尼氟酯 |
| Synonyms | 3-oxo-1,3-dihydro-2-benzofuran-1-yl 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylate; Talniflumate; Phthalidyl 2-(a,a,a-Trifluoro-m-toluidino)nicotinate; Lomucin; Somalgen; Purotoxin 1; BA 7602-06; 3-Oxo-1,3-dihydro-2-benzofuran-1-yl 2-{[3-(trifluoromethyl)phenyl]amino}nicotinate |
| Molecular Formula | C21H13F3N2O4 |
| Molecular Weight | 414.33 |
| Purity | ≥98 (HPLC) |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 534.6±50.0 °C at 760 mmHg |
| Melting Point | 165-167ºC |
| Appearance | powder |
| Storage Condition | 0-10°C; avoid heating |
| Application | Talniflumate (BA 7602-06) is a prodrug of niflunic acid (HY-B0493) that is converted to niflunic acid by esterases, thereby exerting its activity in the body. Talniflumate is an orally active ca2+-act |
| HTC | 2934999090 |
| SMILES | FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)OC3OC(=O)c4c3cccc4 |
| InChI | 1S/C21H13F3N2O4/c22-21(23,24)12-5-3-6-13(11-12)26-17-16(9-4-10-25-17)19(28)30-20-15-8-2-1-7-14(15)18(27)29-20/h1-11,20H,(H,25,26) |
| InChI Key | ANMLJLFWUCQGKZ-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/12569_1_66898_62_2.pdf |
| Bioactivity | Talniflumate (BA 7602-06) is the prodrug of Niflumic acid (HY-B0493), exerting its activity in the body through conversion to niflumic acid by esterase[1]. Talniflumate is an orally active ca2+-activated Cl- channel (CaCC) blocker. Talniflumate can be used as an analgesic and anti-inflammatory agent in cystic fibrosis mouse model of distal intestinal obstructive syndrome[2]. Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Chloride Channel Research Areas >> Inflammation/Immunology Target IC50: ca2+-activated Cl- channel (CaCC)[1] In Vivo Talniflumate (oral chow; 0.4 mg/g; 21 days) significantly increases CF mouse survival from 26 to 77%. It does not alter crypt goblet cell numbers or change intestinal expression of mCLCA3 but tends to decrease crypt mucoid impaction[1]. Animal Model: CF mice with distal intestinal obstructive syndrome (DIOS)[1] Dosage: 0.4 mg/g Administration: Oral chow; 21 days Result: Increased survival in a cystic fibrosis mouse model of distal intestinal obstructive syndrome. References [1]. Hyun-Ji Kim, et al. Pharmacokinetics of talniflumate, a prodrug of niflumic acid, following oral administration to man. Archives of Pharmacal Research volume 19, Article number: 297 (1996) [2]. Mollereau, et al. Agonist and Antagonist Activities on Human NPFF(2) Receptors of the NPY Ligands GR231118 and BIBP3226. Br J Pharmacol.2001 May;133(1):1-4. Chemical & Physical Properties Density 1.5±0.1 g/cm3 Boiling Point 534.6±50.0 °C at 760 mmHg Melting Point 165-167ºC Molecular Formula C21H13F3N2O4 Molecular Weight 414.334 Flash Point 277.1±30.1 °C Exact Mass 414.082733 PSA 77.52000 LogP 5.59 Vapour Pressure 0.0±1.4 mmHg at 25°C Index of Refraction 1.625 InChIKey ANMLJLFWUCQGKZ-UHFFFAOYSA-N SMILES O=C1OC(OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c2ccccc21 |
| Use of | Talniflumate (BA 7602-06) is the prodrug of Niflumic acid (HY-B0493), exerting its activity in the body through conversion to niflumic acid by esterase[1]. Talniflumate is an orally active ca2+-activated Cl- channel (CaCC) blocker. Talniflumate can be used as an analgesic and anti-inflammatory agent in cystic fibrosis mouse model of distal intestinal obstructive syndrome[2]. Properties Name (3-oxo-1H-2-benzofuran-1-yl) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Synonym More Synonyms Talniflumate Biological Activity Description Talniflumate (BA 7602-06) is the prodrug of Niflumic acid (HY-B0493), exerting its activity in the body through conversion to niflumic acid by esterase[1]. Talniflumate is an orally active ca2+-activated Cl- channel (CaCC) blocker. Talniflumate can be used as an analgesic and anti-inflammatory agent in cystic fibrosis mouse model of distal intestinal obstructive syndrome[2]. Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Chloride Channel Research Areas >> Inflammation/Immunology IC50: ca2+-activated Cl- channel (CaCC)[1] References [1]. Hyun-Ji Kim, et al. Pharmacokinetics of talniflumate, a prodrug of niflumic acid, following oral administration to man. Archives of Pharmacal Research volume 19, Article number: 297 (1996) [2]. Mollereau, et al. Agonist and Antagonist Activities on Human NPFF(2) Receptors of the NPY Ligands GR231118 and BIBP3226. Br J Pharmacol.2001 May;133(1):1-4. Chemical & Physical Properties Molecular Formula C21H13F3N2O4 Exact Mass 414.082733 PSA 77.52000 Index of Refraction 1.625 InChIKey ANMLJLFWUCQGKZ-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
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