CAS Number23779-99-9
SynonymsIdarac; Idalon; Floctafeninum [INN-Latin]; R 4318; Diralgan; 4-[o-(2',3'-dihydroxypropyloxycarbonyl)-phenyl]-amino-8-trifluoromethyl-quinoline; Novodolan; Floctafenina [INN-Spanish]; Floctafenine
Molecular FormulaC20H17F3N2O4
Molecular Weight406.355
Purity96+%
Density1.437g/cm3
Boiling Point592.1ºC at 760 mmHg
Melting Point179-180°
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 23779-99-9 |
| Catalog No. | 2A-0111129 |
| Chinese Name | 弗洛非宁 |
| Synonyms | Idarac; Idalon; Floctafeninum [INN-Latin]; R 4318; Diralgan; 4-[o-(2',3'-dihydroxypropyloxycarbonyl)-phenyl]-amino-8-trifluoromethyl-quinoline; Novodolan; Floctafenina [INN-Spanish]; Floctafenine |
| Molecular Formula | C20H17F3N2O4 |
| Molecular Weight | 406.355 |
| Purity | 96+ |
| Density | 1.437g/cm3 |
| Boiling Point | 592.1ºC at 760 mmHg |
| Melting Point | 179-180° |
| Storage Condition | 2-8°C, sealed, dry |
| Application | The nonsteroidal anti-inflammatory drug (NSAID) fluoxetine is an effective analgesic [1][2]. Flutristafen is an inhibitor of COX-1 and COX-2 activity in vitro and shows slightly higher potency against |
| EINECS | 0 |
| HTC | 2933499090 |
| UN(IATA) | 0 |
| SMILES | O=C(OCC(O)CO)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12 |
| InChI | InChI=1S/C20H17F3N2O4/c21-20(22,23)15-6-3-5-13-17(8-9-24-18(13)15)25-16-7-2-1-4-14(16)19(28)29-11-12(27)10-26/h1-9,12,26-27H,10-11H2,(H,24,25) |
| InChI Key | APQPGQGAWABJLN-UHFFFAOYSA-N |
| Use of | Floctafenine, a nonsteroidal anti-inflammatory agent (NSAID), acts as an effective analgesic agent[1][2]. Floctafenine is an inhibitor of COX-1 and COX-2 activities in vitro,showing a slightly higher potency towards COX-I. Floctafenine is used for the research of short term pain treatment[3]. Properties Name 2,3-dihydroxypropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate Synonym More Synonyms floctafenine Biological Activity Description Floctafenine, a nonsteroidal anti-inflammatory agent (NSAID), acts as an effective analgesic agent[1][2]. Floctafenine is an inhibitor of COX-1 and COX-2 activities in vitro,showing a slightly higher potency towards COX-I. Floctafenine is used for the research of short term pain treatment[3]. Related Catalog Research Areas >> Inflammation/Immunology Signaling Pathways >> Immunology/Inflammation >> COX References [1]. P Giuseppe, et al. Floctafenine: a valid alternative in patients with adverse reactions to nonsteroidal anti-inflammatory drugs. Ann Allergy Asthma Immunol. 1997 Jan;78(1):74-8. [2]. Gehan Hegazy Hegazy, et al. Synthesis of some floctafenine derivatives of expected anti-inflammatory/analgesic activity. Arch Pharm (Weinheim). 2005 Aug;338(8):378-84. [3]. R Maenthaisong, et al. Clinical pharmacology of cyclooxygenase inhibition and pharmacodynamic interaction with aspirin by floctafenine in Thai healthy subjects.Int J Immunopathol Pharmacol. Apr-Jun 2013;26(2):403-17. Chemical & Physical Properties Molecular Formula C20H17F3N2O4 Exact Mass 406.11400 PSA 91.68000 LogP 3.58020 Index of Refraction 1.63 InChIKey APQPGQGAWABJLN-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Benzoic acid, 2-(8'-trifluoromethyl-4'-quinolylamino)-, 2,3-dihydroxypropyl ester CAS REGISTRY NUMBER : 23779-99-9 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C20-H17-F3-N2-O4 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T66 BNJ JXFFF EMR BVO1YQ1Q HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay) Gastrointestinal - ulceration or bleeding from stomach REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 9(Suppl 2),299,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) Behavioral - coma Blood - hemorrhage REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 9(Suppl 2),299,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Skin and Appendages - dermatitis, other (after systemic exposure) REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 9(Suppl 2),299,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,173,1976 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay) Gastrointestinal - ulceration or bleeding from stomach REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 9(Suppl 2),299,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,173,1976 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Skin and Appendages - dermatitis, other (after systemic exposure) REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 9(Suppl 2),299,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,173,1976 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - nausea or vomiting REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,173,1976 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,173,1976 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from stomach Blood - changes in cell count (unspecified) Related to Chronic Data - death REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,173,1976 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from small intestine Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,173,1976 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from stomach REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 36,173,1976 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 1-7 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - musculoskeletal system REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 9(Suppl 2),325,1981 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 6-18 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 9(Suppl 2),379,1981 Safety Information Hazard Codes Xi HS Code 2933499090 Synthetic Route Total: 1 Page 4-chloro-8-(tri... CAS#:23779-97-7 α-Glyceryl Anth... CAS#:71574-35-1 floctafenine CAS#:23779-99-9 Literature: Mouzin; Cousse; Autin Synthesis, 1980 , vol. No. 1, p. 54 - 55 Isatoic anhydride CAS#:118-48-9 floctafenine CAS#:23779-99-9 Literature: Synthesis, , vol. No. 1, p. 54 - 55 Precursor & DownStream Precursor 3 CAS#:23779-97-7 4-chloro-8-(tri... CAS#:71574-35-1 α-Glyceryl Anth... CAS#:118-48-9 Isatoic anhydride DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
| Related Products in Functional Building Blocks | ||
|---|---|---|
| 2,3-DIHYDRO-1H-SPIRO[ISOQUINOLINE-4,4'-PIPERIDINE] | 1145670-30-9 | 2A-0111067 |
| 2,3-DIHYDRO-2-[4-(TRIFLUOROMETHYL)PHENYL]-4(1H)-QUINOLINONE | 946049-56-5 | 2A-0111068 |
| 2,3-DIHYDROBENZO[B][1,4]DIOXINE-2-CARBALDEHYDE | 64179-67-5 | 2A-0111084 |
| 2,3-DIHYDROSPIRO[INDENE-1,4'-PIPERIDINE] HYDROCHLORIDE | 96651-85-3 | 2A-0111115 |
| 2,3-DIHYDROXYNAPHTHALENE-1,4-DICARBALDEHYDE | 103860-60-2 | 2A-0111128 |
| 2,3-DIMETHOXYBENZOHYDRAZIDE | 321195-74-8 | 2A-0111144 |
| 2,4'-DIFLUORO-[1,1'-BIPHENYL]-3-CARBOXYLIC ACID | 1214332-32-7 | 2A-0111203 |
| 2,4'-DIFLUORO-3'-METHYL-[1,1'-BIPHENYL]-4-CARBOXYLIC ACID | 1261926-23-1 | 2A-0111204 |
| 2,4,6-TRICHLOROBENZALDEHYDE | 24473-00-5 | 2A-0111288 |
| 2,4,6-TRIMETHYLCYCLOHEX-3-ENECARBALDEHYDE | 1423-46-7 | 2A-0111354 |
| Browse all Functional Building Blocks products » | ||
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA
EN
SDS