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B8686

Sigma-Aldrich

(+)-N-苄基尼凡诺

≥98% (HPLC), powder, CYP2C19 inhibitor

别名:

(5S)-5-乙基-5-苯基-3-（苯甲基）-2,4-咪唑烷二酮, 5-乙基-5-苯基-3-（苯甲基）乙内酰脲

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About This Item

经验公式（希尔记法）:
C18H18N2O2
CAS号:
790676-40-3
分子量:
294.35
MDL编号:
MFCD09840024
UNSPSC代码:
12161501
PubChem化学物质编号:
329773138
NACRES:
NA.77
价格与库存信息目前不能提供

产品名称

(+)-N-苄基尼凡诺, ≥98% (HPLC), powder

方案

≥98% (HPLC)

表单

powder

溶解性

DMSO: >20 mg/mL
H2O: insoluble

储存温度

2-8°C

SMILES字符串

CC[C@]1(NC(=O)N(Cc2ccccc2)C1=O)c3ccccc3

InChI

1S/C18H18N2O2/c1-2-18(15-11-7-4-8-12-15)16(21)20(17(22)19-18)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,19,22)/t18-/m0/s1

InChI key

ZMZDHUHMXXALFX-SFHVURJKSA-N

应用

(+)-N-3-苄基烯醇可用作细胞色素P450 2C19 (CYP2C19)抑制剂，以在处理混合物和单个基质的对比研究中，进行细胞色素P450（CYP）的有效抑制筛选。[1]它也可用于比较研究，以探讨其在悬浮人肝细胞中作为CYP2C19的CYP和非CYP选择性抑制剂的潜力。[2]

生化/生理作用

(+)-N-3-苄基-尼凡诺是一种强效选择性 CYP2C19 抑制剂。
(+)-N-3-苄基-尼凡诺是一种强效选择性 CYP2C19 抑制剂。CYP2C19 具有较高的耐药频率；高度多态性。
(+)-N-3-苄基烯醇可用作细胞色素P450 2B6的抑制剂（CYP2B6）。[3]

象形图

Exclamation markEnvironment
GHS07,GHS09

警示用语：

Warning

危险声明

H302,H319,H400

危险分类

Acute Tox. 4 Oral - Aquatic Acute 1 - Eye Irrit. 2

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
0000403966
0000403967
0000403967
0000403966
0000219889

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James P Driscoll et al.
Chemical research in toxicology, 20(10), 1488-1497 (2007-09-26)
The hypothesis that the psychological side effects associated with the anesthetic phencyclidine (PCP) may be caused by irreversible binding of PCP or its reactive metabolite(s) to critical macromolecules in the brain has resulted in numerous in vitro studies aimed at
Dustyn A Barnette et al.
Biochemical pharmacology, 170, 113661-113661 (2019-10-13)
Terbinafine N-dealkylation pathways result in formation of 6,6-dimethyl-2-hepten-4-ynal (TBF-A), a reactive allylic aldehyde, that may initiate idiosyncratic drug-induced liver toxicity. Previously, we reported on the importance of CYP2C19 and 3A4 as major contributors to TBF-A formation. In this study, we
Guru R Valicherla et al.
Xenobiotica; the fate of foreign compounds in biological systems, 49(12), 1396-1402 (2019-02-13)
1. A protocol has been developed and validated for the high-throughput screening of eight major human cytochrome P450 (CYP) isozymes inhibition (CYP 1A2, 2C9, 2C19, 2D6, 3A4, 2B6, 2C8 and 2E1) using an in vitro probe cocktail containing eight substrates
Marie-Lynn Cuypers et al.
Drug metabolism and disposition: the biological fate of chemicals, 48(11), 1121-1128 (2020-08-26)
Early assessment of metabolism pathways of new chemical entities guides the understanding of drug-drug interactions. Selective enzyme inhibitors are indispensable in CYP reaction phenotyping. The most commonly applied CYP2C19 inhibitor, omeprazole, lacks selectivity. Two promising alternatives, (+)-N-3-benzylnirvanol and (-)-N-3-benzylphenobarbital, are

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