D1306
地异喹 硫酸酯
powder, ≥98% (TLC)
别名:
3,4-二氢-2（1H）-异喹啉羧酰亚胺, Ro 5-33071, 去甲异喹 硫酸酯
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关于此项目
线性分子式:
C20H26N6 · H2SO4
化学文摘社编号:
分子量:
448.54
NACRES:
NA.32
PubChem Substance ID:
UNSPSC Code:
12352204
EC Number:
209-472-4
MDL number:
产品名称
地异喹 硫酸酯,
InChI key
CAYGYVYWRIHZCQ-UHFFFAOYSA-N
InChI
1S/2C10H13N3.H2O4S/c2*11-10(12)13-6-5-8-3-1-2-4-9(8)7-13;1-5(2,3)4/h2*1-4H,5-7H2,(H3,11,12);(H2,1,2,3,4)
SMILES string
OS(O)(=O)=O.NC(=N)N1CCc2ccccc2C1.NC(=N)N3CCc4ccccc4C3
assay
≥98% (TLC)
form
powder
mp
285 °C
solubility
H2O: 20 mg/mL (with heat)
storage temp.
room temp
Quality Level
Gene Information
human ... SLC6A2(6530)
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Biochem/physiol Actions
去异喹酮是一种抗高血压药。它可由细胞色素P4502D6所代谢。
General description
细胞色素P450 CYP2D6的底物； 细胞色素P450基因多态性的指示剂。
signalword
Warning
hcodes
pcodes
Hazard Classifications
Acute Tox. 4 Oral
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
E Jacqz-Aigrain et al.
Biochemical pharmacology, 41(11), 1657-1663 (1991-06-01)
Interindividual variations of debrisoquine metabolism was recently identified in non-human primates tested in vivo. The catalytical and immunological characterization of cytochrome P450IID subfamily was undertaken in hepatic microsomes from extensive metabolizer primates. The NADPH/O2 mediated metabolism of debrisoquine, dextromethorphan and
B Clement et al.
Biochemical pharmacology, 46(12), 2249-2267 (1993-12-14)
The microsomal N-hydroxylation of the strongly basic guanidinium group (debrisoquine) to N-hydroxyguanidine (N-hydroxydebrisoquine) and the retroreduction of the N-hydroxyguanidine are demonstrated for the first time. The reduction of the N-hydroxyguanidine by liver homogenates and hepatocytes is catalysed by a microsomal
Ping-Ching Hsu et al.
Molecular carcinogenesis, 56(2), 594-606 (2016-06-25)
Smoking-related biomarkers for lung cancer and other diseases are needed to enhance early detection strategies and to provide a science base for tobacco product regulation. An untargeted metabolomics approach by ultra-performance liquid chromatography-quadrupole-time of flight mass spectrometry (UHPLC-Q-TOF MS) totaling
The debrisoquine metabolic phenotype and DNA-based assays: implications of misclassification for the association of lung cancer and the debrisoquine metabolic phenotype.
Caporaso N E, et al.
Environmental Health Perspectives, 98, 101-105 (1992)
J W Ho et al.
Analytical biochemistry, 203(2), 348-351 (1992-06-01)
Debrisoquine and sparteine are prototype substrates of a genetic deficiency in cytochrome P450-dependent drug metabolism. Sensitive assays of in vitro oxidation of sparteine and debrisoquine are required for evaluation of this polymorphism. The activities were measured by quantitative analysis of
商品
Phase I biotransformation reactions increase drug compound polarity, mainly occurring in hepatic circulation.
一期生物转化反应在药物上引入或暴露官能团，目的是增加化合物的极性。尽管一期药物代谢发生在大多数组织中，但代谢的主要和首过部位发生在肝循环期间。
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