1-methyl-2-[2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid

• ChemBase编号: 129188
• 分子式: C34H30N2O6S
• 平均质量: 594.6768
• 单一同位素质量: 594.18245769
• SMILES: O=C(O)c1cc2c(cccc2)c(c1O)Cc1c2c(cc(C(=O)O)c1O)cccc2.N1=C(/C=C/c2sccc2)N(C)CCC1
• Canonical SMILES: OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O.CN1CCCN=C1/C=C/c1cccs1
• InChI: InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3
• InChIKey: AQXXZDYPVDOQEE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-2-[2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-[(E)-2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
• IUPAC传统名: pamoic acid; pyrantel
• 别名: 含 4,4′-亚甲基双(3-羟基-2-萘甲酸) 的 1-甲基-2-(2-[2-噻吩基]乙烯基)-1,4,5,6-四氢嘧啶化合物; 双羟萘酸噻嘧啶; Pyrantel pamoate; Pyrantel embonate; Pyrantel pamoate; 1-Methyl-2-(2-[2-thienyl]ethenyl)-1,4,5,6-tetrahydropyrimidine compound with 4,4′-methylenebis(3-hydroxy-2-naphthoic acid); 4,4'-Methylenebis[3-hydroxy-2-naphthalenecarboxylic Acid compound with 1,4,5,6-Tetrahydro-1-methyl-2-[(1E)-2-(2-thienyl)ethenyl]pyrimidine; Antiminth; 1,4,5,6-Tetrahydro-1-methyl-2-[(1E)-2-(2-thienyl)ethenyl]pyrimidine 4,4'-Methylenebis[3-hydroxy-2-naphthalenecarboxylate]; CP 10423-16; Cobantril; Combantrin; Early Bird; Embovin; Helmex; Helmintox; Nemocid; Piranver

登记号

• CAS号: 22204-24-6
• EC号: 244-837-1
• MDL号: MFCD00072037
• Beilstein号: 9034755
• PubChem SID: 24870378; 162223485; 24898655
• PubChem CID: 5281033
• CHEMBL: 1673147
• Chemspider ID: 4444501
• 医学主题词(MeSH): Pyrantel+pamoate
• 维基百科标题: Pyrantel_pamoate

理论计算性质

• Acid pKa: 2.3815763
• 质子受体: 6
• 质子供体: 4
• LogD (pH = 5.5): 0.5700001
• LogD (pH = 7.4): -0.95232564
• Log P: 6.0520287
• 摩尔折射率: 107.1698 cm^3
• 极化性: 42.550995 Å^3
• 极化表面积: 115.06 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 级别: VETRANAL™, analytical standard
• 燃烧残渣: <0.5%
• 杂质: <0.0005% Phosphorus (P); <0.1% Insoluble matter
• 痕量阳离子: Al: <0.0005%; Ca: <0.002%; Cu: <0.0005%; Fe: <0.001%; K: <0.005%; Mg: <0.0005%; Na: <0.01%; Pb: <0.001%; Zn: <0.0005%
• 痕量阴离子: chloride (Cl-): <0.5%
• 线性分子式: C11H14N2S · C23H16O6

详细说明

Sigma Aldrich - P6210

Application
Pyrantel pamoate is used as a deworming agent in domesticated animals such as horses, hamsters, sheep, pigs, cats, and dogs1. It is a combination of pyrantel and pamoic acid. It is used to study mechanisms underlying gut dysfunction in a murine model2. It has been used as an anthelmintic treatment of children in Bangladesh and has been studied for it′s effect on host physiology, growth, and biochemical status3.
Biochem/physiol Actions
Pyrantel pamoate is a nematode muscle cell-associated nicotinic agonist for the acetylcholine (ACh) receptor. Cholinesterase inhibitor.

Sigma Aldrich - 46702

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC

Toronto Research Chemicals - P840575

An antiparasitic agent used in the treatment of intestinal parasites such as hookworms and roundworms (Ascaris lumbricoides, aka ascarids in humans) in domesticated animals such as horses, cattle, sheep, pigs, cats, dogs, and many other species.

参考文献

• Becher, A.M. et al.: Vet. Parasitol., 171, 116 (2010)
• Barr, S.C. et al.: Am. J. Vet. Res., 59, 1134 (2010)