CAS Number42864-78-8
Synonyms1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol,hydrochloride; UNII:4VB9HU07BC; (±)-1-((3,4-Dimethoxyphenethyl)amino)-3-(m-tolyloxy)-2-propanol Hydrochloride; Bevantolol Hydrochloride; (±)-1-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-2-propanol Hydrochloride; 1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)-2-propanol hydrochloride (1:1); 1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol hydrochloride (1:1); 2-Propanol, 1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)-, hydrochloride (1:1)
Molecular FormulaC20H28ClNO4
Molecular Weight381.89
Purity≥98 (HPLC)%
Boiling Point518.3°C
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 42864-78-8 |
| Catalog No. | 2A-9043028 |
| Chinese Name | 盐酸贝凡洛尔 |
| Synonyms | 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol,hydrochloride; UNII:4VB9HU07BC; (±)-1-((3,4-Dimethoxyphenethyl)amino)-3-(m-tolyloxy)-2-propanol Hydrochloride; Bevantolol Hydrochloride; (±)-1-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-2-propanol Hydrochloride; 1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)-2-propanol hydrochloride (1:1); 1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol hydrochloride (1:1); 2-Propanol, 1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)-, hydrochloride (1:1) |
| Molecular Formula | C20H28ClNO4 |
| Molecular Weight | 381.89 |
| Purity | ≥98 (HPLC) |
| Boiling Point | 518.3°C |
| Appearance | powder |
| Storage Condition | room temperature, dry |
| Application | Bevantolol hydrochloride is a selective β1/α1-adrenergic receptor antagonist with pKi values of 7.83 and 6.9 in rat cerebral cortex. Bevantolol hydrochloride is a potent Ca2+ antagonist. |
| HTC | 2922299090 |
| PubChem ID | 7848432 |
| MDL Number | MFCD00941389 |
| SMILES | OC(COC1=CC=CC(C)=C1)CNCCC2=CC(OC)=C(C=C2)OC.Cl |
| InChI | 1S/C20H27NO4.ClH/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3;/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3;1H |
| InChI Key | FJTKCFSPYUMXJB-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/43028_1_42864_78_8.pdf |
| Use of | Bevantolol hydrochloride is a selective β1 and α1-adrenergic receptor antagonist with pKi values of 7.83, 6.9 in rat cerebral cortex, respectively. Bevantolol hydrochloride is a potent Ca2+ antagonist[1][2]. Properties Name bevantolol hydrochloride Synonym More Synonyms Bevantolol hydrochloride Biological Activity Description Bevantolol hydrochloride is a selective β1 and α1-adrenergic receptor antagonist with pKi values of 7.83, 6.9 in rat cerebral cortex, respectively. Bevantolol hydrochloride is a potent Ca2+ antagonist[1][2]. Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Calcium Channel Signaling Pathways >> GPCR/G Protein >> Adrenergic Receptor Research Areas >> Metabolic Disease Research Areas >> Neurological Disease pKi: 7.83 (β1-adrenergic receptor), 6.9 (α1-adrenergic receptor), 6.23 (β2-adrenergic receptor) and Ca2+[1][2] In Vitro Bevantolol hydrochloride has a pKi of 6.23 for β2-adrenergic receptor[1]. References [1]. M Takita, et al. Selectivity of Bevantolol Hydrochloride Towards Alpha- And Beta-Adrenoceptor Subtypes in Rat Cerebral Cortex. Jpn J Pharmacol. 1992 Feb;58(2):193-6. [2]. Takahiro Horinouchi, et al. Different Changes of Plasma Membrane Beta-Adrenoceptors in Rat Heart After Chronic Administration of Propranolol, Atenolol and Bevantolol. Life Sci. 2007 Jul 12;81(5):399-404. Chemical & Physical Properties Exact Mass 381.170685 PSA 59.95000 LogP 3.77710 InChIKey FJTKCFSPYUMXJB-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 2-Propanol, 1-((3,4-dimethoxyphenethyl)amino)-3-(m-tolyloxy)-, monohydrochloride CAS REGISTRY NUMBER : 42864-78-8 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : MOLECULAR WEIGHT : 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 : 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: 26,364,1995 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 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: 26,364,1995 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 25100 ug/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: 26,364,1995 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCDREP New Cardiovascular Drugs. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) 1985- Volume(issue)/page/year: 3,85,1985 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Gastrointestinal - hypermotility, diarrhea REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 25,3937,1991 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : Cardiac - EKG changes not diagnostic of specified effects Kidney, Ureter, Bladder - hematuria Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 25,3905,1991 Safety Information Hazard Codes Xi HS Code 2922299090 Synthetic Route Total: 1 Page ((m-tolyloxy)me... CAS#:2186-25-6 3,4-Dimethoxyph... CAS#:120-20-7 Bevantolol hydr... CAS#:42864-78-8 Literature: Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Bredikhin, Alexander A. Journal of Molecular Structure, 2009 , vol. 936, # 1-3 p. 171 - 176 Precursor & DownStream Precursor 2 CAS#:2186-25-6 ((m-tolyloxy)me... CAS#:120-20-7 3,4-Dimethoxyph... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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