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Loxoprofen sodium structure, CAS 80382-23-6

Loxoprofen sodium

CAS Number80382-23-6

SynonymsSodium 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoate; Loxoprofen sodium; cs-600; loxoprofensodiumdihydrate; MFCD00941425; LOXOPROFEN NA; Benzeneacetic acid, α-methyl-4-[(2-oxocyclopentyl)methyl]-, sodium salt (1:1); Loxonin; sodium salt of Loxoprofen; Loxoprofen sodiuM hydrate; SodiuM Loxoprofen; Unastin

Molecular FormulaC15H17NaO3

Molecular Weight268.283

Purity98%

Density

Boiling Point417.9ºCat 760 mmHg

Melting Point

Flash Point

Appearance

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Cat. No.: 2A-9011247 Purity: 98%
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Quality Control of [ 80382-23-6 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number80382-23-6
Catalog No.2A-9011247
Chinese Name洛索洛芬钠
SynonymsSodium 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoate; Loxoprofen sodium; cs-600; loxoprofensodiumdihydrate; MFCD00941425; LOXOPROFEN NA; Benzeneacetic acid, α-methyl-4-[(2-oxocyclopentyl)methyl]-, sodium salt (1:1); Loxonin; sodium salt of Loxoprofen; Loxoprofen sodiuM hydrate; SodiuM Loxoprofen; Unastin
Molecular FormulaC15H17NaO3
Molecular Weight268.283
Purity98
Boiling Point417.9ºCat 760 mmHg
Storage ConditionRoom temperature, dry
ApplicationLoxoprofen sodium is a nonsteroidal anti-inflammatory drug with analgesic and antipyretic effects. Loxoprofen sodium is a non-selective COX inhibitor with IC50s of 6.5 and 13.5 μM for COX-1 and COX-2,
HTC2918300090
SMILESCC(C(=O)[O-])c1ccc(CC2CCCC2=O)cc1.[Na+]
InChIInChI=1S/C15H18O3.Na.2H2O/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16;;;/h5-8,10,13H,2-4,9H2,1H3,(H,17,18);;2*1H2/q;+1;;/p-1
InChI KeyWORCCYVLMMTGFR-UHFFFAOYSA-M
Use ofLoxoprofen sodium is a non-steroidal anti-inflammatory agent with analgesic and anti-pyretic properties. Loxoprofen sodium is a nonselective COX inhibitor with IC50s of 6.5 and 13.5 μM for COX-1 and COX-2, respectively[1][2]. Properties Name loxoprofen sodium hydrate Synonym More Synonyms Loxoprofen sodium Biological Activity Description Loxoprofen sodium is a non-steroidal anti-inflammatory agent with analgesic and anti-pyretic properties. Loxoprofen sodium is a nonselective COX inhibitor with IC50s of 6.5 and 13.5 μM for COX-1 and COX-2, respectively[1][2]. Related Catalog Research Areas >> Inflammation/Immunology Signaling Pathways >> Immunology/Inflammation >> COX COX-1:6.5 μM (IC50) COX-2:13.5 μM (IC50) In Vitro Loxoprofen sodium, an anti-inflammatory prodrug (NSAID), is a nonselective COX inhibitor with IC50s of 6.5 and 13.5μM for COX-1 and COX-2 in human whole blood assays, respectively[1]. Loxoprofen (LOX) sodium is a non-selective cyclooxygenase inhibitor that is widely used for the reasearch of pain and inflammation caused by chronic and transitory conditions. Its alcoholic metabolites are formed by carbonyl reductase (CR) and they consist of trans-LOX, which is active, and cis-LOX, which is inactive. In addition, LOX sodium can also be converted into an inactive hydroxylated metabolite (OH-LOXs) by cytochrome P450 (CYP)[2]. References [1]. Riendeau D, et al. Evaluation of loxoprofen and its alcohol metabolites for potency and selectivity of inhibition of cyclooxygenase-2. Bioorg Med Chem Lett. 2004;14(5):1201-1203. [2]. Paudel S, et al. Assessing Drug Interaction and Pharmacokinetics of Loxoprofen in Mice Treated with CYP3A Modulators. Pharmaceutics. 2019;11(9):479. Published 2019 Sep 16. Chemical & Physical Properties Molecular Formula C15H17NaO3 Exact Mass 268.107544 PSA 57.20000 LogP 1.45170 InChIKey WORCCYVLMMTGFR-UHFFFAOYSA-M Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Benzeneacetic acid, alpha-methyl-4-((2-oxocyclopentyl)methyl)-, sodium salt, dihydrate CAS REGISTRY NUMBER : 80382-23-6 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C15-H17-O3.Na.2H2-O MOLECULAR WEIGHT : WISWESSER LINE NOTATION : LVTJ B1R DY1&VO- &-NA- &QH 2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - man DOSE/DURATION : TOXIC EFFECTS : Lungs, Thorax, or Respiration - bronchiolar constriction Lungs, Thorax, or Respiration - other changes REFERENCE : JTCTDW Journal of Toxicology, Clinical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.19- 1982- Volume(issue)/page/year: 31,333,1993 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine REFERENCE : SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. (Sankyo K.K. Sogo Kenkyusho, 1-2-58 Hiro-machi, Shinagawa-ku, Tokyo 140, Japan) No.15- 1963- Volume(issue)/page/year: 36,1,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine REFERENCE : SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. (Sankyo K.K. Sogo Kenkyusho, 1-2-58 Hiro-machi, Shinagawa-ku, Tokyo 140, Japan) No.15- 1963- Volume(issue)/page/year: 36,1,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine REFERENCE : SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. (Sankyo K.K. Sogo Kenkyusho, 1-2-58 Hiro-machi, Shinagawa-ku, Tokyo 140, Japan) No.15- 1963- Volume(issue)/page/year: 36,1,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine REFERENCE : SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. (Sankyo K.K. Sogo Kenkyusho, 1-2-58 Hiro-machi, Shinagawa-ku, Tokyo 140, Japan) No.15- 1963- Volume(issue)/page/year: 36,1,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine REFERENCE : SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. (Sankyo K.K. Sogo Kenkyusho, 1-2-58 Hiro-machi, Shinagawa-ku, Tokyo 140, Japan) No.15- 1963- Volume(issue)/page/year: 36,1,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine REFERENCE : SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. (Sankyo K.K. Sogo Kenkyusho, 1-2-58 Hiro-machi, Shinagawa-ku, Tokyo 140, Japan) No.15- 1963- Volume(issue)/page/year: 36,1,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine REFERENCE : SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. (Sankyo K.K. Sogo Kenkyusho, 1-2-58 Hiro-machi, Shinagawa-ku, Tokyo 140, Japan) No.15- 1963- Volume(issue)/page/year: 36,1,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine REFERENCE : SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. (Sankyo K.K. Sogo Kenkyusho, 1-2-58 Hiro-machi, Shinagawa-ku, Tokyo 140, Japan) No.15- 1963- Volume(issue)/page/year: 36,1,1984 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 21 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - stillbirth Reproductive - Effects on Newborn - live birth index (measured after birth) REFERENCE : SKKNAJ Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. (Sankyo K.K. Sogo Kenkyusho, 1-2-58 Hiro-machi, Shinagawa-ku, Tokyo 140, Japan) No.15- 1963- Volume(issue)/page/year: 36,1,1984 Safety Information HS Code 2918300090 Synthetic Route Total: 1 Page Loxoprofen CAS#:68767-14-6 Loxoprofen sodium CAS#:80382-23-6 Literature: Yamakawa, Naoki; Suemasu, Shintaro; Matoyama, Masaaki; Kimoto, Ayumi; Takeda, Miho; Tanaka, Ken-Ichiro; Ishihara, Tomoaki; Katsu, Takashi; Okamoto, Yoshinari; Otsuka, Masami; Mizushima, Tohru Journal of Medicinal Chemistry, 2010 , vol. 53, # 21 p. 7879 - 7882 Precursor & DownStream Precursor 1 CAS#:68767-14-6 Loxoprofen DownStream 0
Tax Rebate9.0%
SupervisionNone MFN tariff: 6.5% Ordinary tariff: 30.0%
Transport InfoProduct name: Summary 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives. Supervision conditions:None. VAT: 17.0%. Tax rebate rate:9.0%. MFN tariff: 6.5%. General tariff:30.0%
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