P-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-phosphinate hydrate

• ChemBase编号: 132738
• 分子式: C6H14NO3P
• 平均质量: 179.154021
• 单一同位素质量: 179.07112994
• SMILES: CP(=O)(C1=CC[NH2+]CC1)[O-].O
• Canonical SMILES: [O-]P(=O)(C1=CC[NH2+]CC1)C.O
• InChI: InChI=1S/C6H12NO2P.H2O/c1-10(8,9)6-2-4-7-5-3-6;/h2,7H,3-5H2,1H3,(H,8,9);1H2
• InChIKey: GXVWAQPRAQORGS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: P-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-phosphinate hydrate
• IUPAC传统名: P-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-phosphinate hydrate
• 别名: TPMPA hydrate; (1,2,5,6-Tetrahydropyridin-4-yl)methylphosphinic acid hydrate

登记号

• CAS号: 182485-36-5(anhydrous)
• PubChem SID: 24278172; 162227015
• PubChem CID: 16220005

理论计算性质

• Acid pKa: 3.5317206
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.3191957
• LogD (pH = 7.4): -3.3158388
• Log P: -3.3151975
• 摩尔折射率: 52.6825 cm^3
• 极化性: 15.928932 Å^3
• 极化表面积: 56.74 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

• 溶解度: DMSO: insoluble; H2O: soluble16 mg/mL
• 外观: white to off-white solid

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

• 纯度: ≥97% (NMR)

详细说明

Sigma Aldrich - T200

Legal Information
Sold in the USA under exclusive license from the University of California.
Biochem/physiol Actions
TPMPA is a hybrid of isoguvacine and 3-APMPA designed to retain affinity for GABAC receptors but not to interact with GABAA or GABAB receptors. Electrical assays show that TPMPA is a competitive antagonist of cloned human mu 1 GABAC receptors expressed in Xenopus laevis oocytes (Kb approx. 2 μM). TPMPA is >100-fold weaker as an inhibitor of rat brain GABAA receptors expressed in oocytes (Kb approx. 320 μM) and has only weak agonist activity on GABAB receptors assayed in rat hippocampal slices (EC50 approx. 500 μM). TPMPA may be used to investigate GABAC receptor function in the outer retina and in any other areas of the nervous system in which these types of receptor are present.