27724-96-5

• 常用中文名：盐酸西曲酸酯
• 常用英文名：Cetraxate HCl
• CAS号：27724-96-5
• 分子式：C₁₇H₂₄ClNO₄
• 分子量：341.83000
• 相关类别： 信号通路 代谢酶/蛋白酶 Ser/Thr蛋白酶
• 发布时间：2018-08-25 18:26:20
• 更新时间：2024-01-02 22:34:27
• 盐酸西曲沙汀(DV-1006),一种具有粘膜保护作用的口服活性抗溃疡剂,可用于胃溃疡研究[1]。盐酸西曲沙汀是一种有效的顶体蛋白酶顶体蛋白酶抑制剂,Ki和IC50分别为0.94μM和3.3μM[2]。

名称

• 中文名: 盐酸西曲酸酯
• 英文名: Cetraxate, Hydrochloride
• 英文别名: 3-[4-[4-(aminomethyl)cyclohexanecarbonyl]oxyphenyl]propanoic acid,hydrochloride

物化性质

• 密度: 1.182g/cm3
• 沸点: 480.9ºC at 760mmHg
• 熔点: 238-240ºC
• 分子式: C₁₇H₂₄ClNO₄
• 分子量: 341.83000
• 闪点: 244.6ºC
• 精确质量: 341.13900
• PSA: 89.62000
• LogP: 3.87660
• 折射率: 1.551
• 储存条件: 库房低温通风干燥

生物活性

• 描述: 盐酸西曲沙汀(DV-1006),一种具有粘膜保护作用的口服活性抗溃疡剂,可用于胃溃疡研究[1]。盐酸西曲沙汀是一种有效的顶体蛋白酶顶体蛋白酶抑制剂,Ki和IC50分别为0.94μM和3.3μM[2]。
• 相关类别:
  信号通路 >> 代谢酶/蛋白酶 >> Ser/Thr蛋白酶
  研究领域 >> 炎症/免疫
• 参考文献:

  [1]. Fumihiko Katagiri, et al. Cetraxate raises levels of calcitonin gene-related peptide and substance P in human plasma. J Pharm Pharmacol. 2004 Apr;56(4):557-61.

  [2]. H Sumi, et al. Inhibitors of the acrosomal proteinase acrosin: human urinary trypsin inhibitor (UTI) and 4-(2-carboxyethyl) phenyl trans 4-aminomethylcyclohexanecarboxylate hydrochloride (DV-1006). Experientia. 1980 Sep 15;36(9):1103-4.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : MW5350000 CHEMICAL NAME : Hydrocinnamic acid, p-hydroxy-, 4-(aminomethyl)cyclohexanecarboxylate hydrochloride, trans- CAS REGISTRY NUMBER : 27724-96-5 LAST UPDATED : 198703 DATA ITEMS CITED : 8 MOLECULAR FORMULA : C17-H23-N-O4.Cl-H MOLECULAR WEIGHT : 341.87 WISWESSER LINE NOTATION : L6TJ AVOR D2VQ& D1Z &GH HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1503 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 21,935,1979 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 716 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 12,265,1976 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1415 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 10,710,1979 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 298 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 10,710,1979 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 4310 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 21,935,1979 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1520 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 12,265,1976 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 4210 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 10,710,1979 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 666 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 10,710,1979