N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride

• ChemBase编号: 154702
• 分子式: C23H33ClN4
• 平均质量: 400.98792
• 单一同位素质量: 400.23937476
• SMILES: CCCCN(CC)c1c2c(cn(c2nc(n1)C)c1c(cc(cc1C)C)C)C.Cl
• Canonical SMILES: CCCCN(c1nc(C)nc2c1c(C)cn2c1c(C)cc(cc1C)C)CC.Cl
• InChI: InChI=1S/C23H32N4.ClH/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5;/h12-14H,8-11H2,1-7H3;1H
• InChIKey: ZWDLBNCJWNENFF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride
• IUPAC传统名: N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride
• 别名: N-Butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine monohydrochloride; CP-154526 hydrochloride; N-Butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Hydrochloride; CP 154526 Hydrochloride; CP-154526 Hydrochloride

登记号

• CAS号: 257639-98-8
• MDL号: MFCD07364047
• PubChem SID: 162248840
• PubChem CID: 11475094

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.851673
• LogD (pH = 7.4): 7.249599
• Log P: 7.258
• 摩尔折射率: 126.9085 cm^3
• 极化性: 44.427616 Å^3
• 极化表面积: 33.95 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO; DMSO: >20 mg/mL; Methanol
• 外观: Pale Yellow Solid; white to off-white powder
• 熔点: 167-169°C

安全信息

• 保存条件: Refrigerator
• 德国WGK号: nwg
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C23H32N4 · HCl

详细说明

Sigma Aldrich - PZ0100

Biochem/physiol Actions
CP-154526 is a selective, non-peptide antagonist of corticotropin releasing factor receptors (CRF1).
Legal Information
Sold for research purposes under agreement from Pfizer Inc.

Toronto Research Chemicals - C781295

A selective, non-peptide antagonist of corticotropin releasing factor receptors (CRF1). It blocks CRF-induced adenylate cyclase activation and attenuates activation of the HPA axis by CRF. It displayed anxiolytic-like activity in the rat elevated plus-maz

参考文献

• Lundkist, J. et al.: Eur. J. Pharmacol., 309, 195 (1996)
• Arbolius, L. et al.: J. pharmacol. Exp. Therap., 294, 588 (1996)
• Kehne, J.H. et al.: Neuropharmacol., 39, 1357 (1996)