CAS 27724-96-5|Cetraxate HCl

Introduction：Basic information about CAS 27724-96-5|Cetraxate HCl, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Cetraxate HCl BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Synonyms

Common Name	Cetraxate HCl
CAS Number	27724-96-5	Molecular Weight	341.83000
Density	1.182g/cm3	Boiling Point	480.9ºC at 760mmHg
Molecular Formula	C₁₇H₂₄ClNO₄	Melting Point	238-240ºC
MSDS	/	Flash Point	244.6ºC

Names

Name	Cetraxate, Hydrochloride
Synonym	More Synonyms

Cetraxate HCl BiologicalActivity

Description	Cetraxate hydrochloride (DV-1006), an orally active anti-ulcer agent with mucosal protective effects, can be used for gastric ulcers research[1]. Cetraxate hydrochloride is a potent acrosomal proteinase acrosin inhibitor with a Ki and an IC50 of 0.94 μM and 3.3 μM, respectively[2].
Related Catalog	Signaling Pathways >>Metabolic Enzyme/Protease >>Ser/Thr ProteaseResearch Areas >>Inflammation/Immunology
References	[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.

Description

Cetraxate hydrochloride (DV-1006), an orally active anti-ulcer agent with mucosal protective effects, can be used for gastric ulcers research[1]. Cetraxate hydrochloride is a potent acrosomal proteinase acrosin inhibitor with a Ki and an IC50 of 0.94 μM and 3.3 μM, respectively[2].

Related Catalog

Signaling Pathways >>Metabolic Enzyme/Protease >>Ser/Thr ProteaseResearch Areas >>Inflammation/Immunology

References

[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.

Chemical & Physical Properties

Density	1.182g/cm3
Boiling Point	480.9ºC at 760mmHg
Melting Point	238-240ºC
Molecular Formula	C₁₇H₂₄ClNO₄
Molecular Weight	341.83000
Flash Point	244.6ºC
Exact Mass	341.13900
PSA	89.62000
LogP	3.87660
Index of Refraction	1.551
InChIKey	USROQQUKEBHOFF-UHFFFAOYSA-N
SMILES	Cl.NCC1CCC(C(=O)Oc2ccc(CCC(=O)O)cc2)CC1

Toxicological Information

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

Synonyms

3-[4-[4-(aminomethyl)cyclohexanecarbonyl]oxyphenyl]propanoic acid,hydrochloride

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