6-phenyl-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole hydrochloride

• ChemBase编号: 103549
• 分子式: C11H13ClN2S
• 平均质量: 240.75232
• 单一同位素质量: 240.04879711
• SMILES: Cl.C1CN2CC(N=C2S1)c1ccccc1
• Canonical SMILES: C1CN2C(=NC(C2)c2ccccc2)S1.Cl
• InChI: InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H
• InChIKey: LAZPBGZRMVRFKY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-phenyl-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole hydrochloride
• IUPAC传统名: levamisole hydrochloride; tetramisole hydrochloride hydrochloride
• 别名: (±)-2,3,5,6-四氢-6-苯基咪唑并[2,1-b]噻唑 盐酸盐; 四咪唑 盐酸盐; Tetramisole hydrochloride; (±)-2,3,5,6-Tetrahydro-6-phenylimidazo[2,1-b]thiazole hydrochloride; Tetramisole HCl; DL-2,3,5,6-Tetrahydro-6-phenylimidazo-[2,1-b]-thiazole hydrochloride; TETRAMISOLE; Nemicide; L(-)-2,3,5,6-Tetrahydro-6-phenylimidazo(2,1-b)thiazole; (-)-6-phenyl-2,3,5,6-tetrahydroimidazo[2, 1-b]thiazole; LEVAMISOLE HYDROCHLORIDE; TETRAMISOLE HYDROCHLORIDE, BP

登记号

• CAS号: 5086-74-8; 5086-74-8,5036-02-2(freebase); 16595-80-5
• EC号: 225-799-5; 240-654-6
• MDL号: MFCD00005536
• Beilstein号: 4358989
• PubChem SID: 162102926; 24278725; 24870604
• PubChem CID: 68628

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.91581506
• LogD (pH = 7.4): 2.220205
• Log P: 2.358227
• 摩尔折射率: 60.0784 cm^3
• 极化性: 23.02744 Å^3
• 极化表面积: 15.6 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 230-233°C; 266-267 °C(lit.); 266-268°C

安全信息

• 保存条件: Room Temperature (15-30°C); Room Temperature (15-30°C), Protect from light
• RTECS编号: NJ5950000; NJ5960000
• 欧盟危险性物质标志: 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): III
• 澳大利亚Hazchem: 2X
• 危险公开号: 22-36/37/38; R:22; R:25
• 安全公开号: 26-36; S:28-29-36/37/39-45; S:36/37/39
• 欧盟危险货物分类: T2
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 154
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

药理学性质

• 作用靶点: Others

产品相关信息

• 级别: BP; VETRANAL™, analytical standard
• 成盐信息: HCl
• 简要说明: alkaline phosphatase inhibitor
• Empirical Formula (Hill Notation): C11H12N2S · HCl

详细说明

MP Biomedicals - 02152119

Hydrochloride
Crystalline
Inhibitor of alkaline phosphatase.

MP Biomedicals - 02155228

(L[-]-2,3,5,6-Tetrahydro-6-phenylimidazo[2,1-b]thiazole) Hydrochloride
Crystalline Suitable as an inhibitor of various mammalian alkaline phosphatases. Intestinal alkaline phosphatases are only slightly inhibited.

Sigma Aldrich - T1512

Application
Suitable for inhibition of various mammalian alkaline phosphatases (i.e., liver, kidney, placenta, bone and tumor). Intestinal alkaline phosphatases are only slightly inhibited.
Structure-activity relationship for tetramisole derivatives as alkaline phosphatase inhibitors.1
Other Notes
Racemic form of levamisole.

Sigma Aldrich - 31743

Other Notes
Racemic form of levamisole.
Application
Structure-activity relationship for tetramisole derivatives as alkaline phosphatase inhibitors.1
法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC

参考文献

• Van Belle, H., Biochim. Biophys. Acta, 289: 158, (1972).