P0543
5-Pregnen-3β-ol-20-one-16α-carbonitrile
synthetic (organic), ≥97%, glucocorticoid receptor antagonist, powder, crystals or chunks
别名:
Pregnenolone-16α-carbonitrile
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关于此项目
经验公式（希尔记法）:
C22H31NO2
化学文摘社编号:
分子量:
341.49
UNSPSC Code:
51111800
PubChem Substance ID:
NACRES:
NA.77
MDL number:
产品名称
5-Pregnen-3β-ol-20-one-16α-carbonitrile, ≥97%
SMILES string
C[C@@]12[C@](C[C@@H](C#N)[C@@H]2C(C)=O)([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC1
InChI
1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1
InChI key
VSBHRRMYCDQLJF-ZDNYCOCVSA-N
biological source
synthetic (organic)
sterility
non-sterile
assay
≥97%
form
powder, crystals or chunks
technique(s)
cell culture | mammalian: suitable
solubility
chloroform: methanol (1:1): 50 mg/mL, clear, colorless to faintly yellow (with heat)
shipped in
ambient
storage temp.
2-8°C
Quality Level
Application
5-Pregnen-3β-ol-20-one-16α-carbonitrile has been used:
- in the induction of cytochrome P450
- as pregnane X receptor (PXR) activator in human liver cell lines.
Biochem/physiol Actions
Pregnenolone-16a-carbonitrile (PCN) is a glucocorticoid receptor antagonist and a PXR (pregnane X receptor) activator.
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
>199.9 °F - closed cup
flash_point_c
> 93.3 °C - closed cup
ppe
Eyeshields, Gloves, type N95 (US)
法规信息
涉药品监管产品
此项目有
Afonso C D Bainy et al.
Aquatic toxicology (Amsterdam, Netherlands), 142-143, 447-457 (2013-10-15)
The pregnane X receptor (PXR) (nuclear receptor NR1I2) is a ligand activated transcription factor, mediating responses to diverse xenobiotic and endogenous chemicals. The properties of PXR in fish are not fully understood. Here we report on cloning and characterization of
Yongjie Ma et al.
PloS one, 7(6), e38734-e38734 (2012-06-23)
Pregnane X receptor (PXR) is known to function as a xenobiotic sensor to regulate xenobiotic metabolism through selective transcription of genes responsible for maintaining physiological homeostasis. Here we report that the activation of PXR by pregnenolone 16α-carbonitrile (PCN) in AKR/J
Nozomu Moriya et al.
Biological & pharmaceutical bulletin, 35(4), 473-480 (2012-04-03)
Infection-associated inflammation can alter the expression levels and functions of cytochrome P450s (CYPs). Cyp gene expression is regulated by the activation of several nuclear receptors, including pregnane X receptor (PXR), constitutive androstane receptor (CAR), and aryl hydrocarbon receptor (AhR). These
Gene expression profiling of drug metabolism and toxicology markers using a low-density DNA microarray
de Longueville F, et al.
Biochemical Pharmacology, 64(1), 137-149 (2002)
Guncha Taneja et al.
Scientific reports, 9(1), 6663-6663 (2019-05-02)
Cytochrome P450 (CYP)3A is the most abundant CYP enzyme in the human liver, and a functional impairment of this enzyme leads to unanticipated adverse reactions and therapeutic failures; these reactions result in the early termination of drug development or the
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