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420600

Ketoconazole

Name: Ketoconazole
Brand: MM

An inhibitor of cytochrome P-450 in steroid biosynthesis. An antifungal agent that displays potent anti-metastatic, anti-neoplastic, and anti-psoriatic activities.

别名:

Ketoconazole, cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine, R-41400, CYP17A1 Inhibitor I

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关于此项目

经验公式（希尔记法）:

C₂₆H₂₈Cl₂N₄O₄

化学文摘社编号:

65277-42-1

分子量:

531.43

UNSPSC Code:

12352200

NACRES:

NA.77

MDL number:

MFCD00058579

Assay:

≥98% (HPLC)

Form:

solid

Quality level:

100

Storage condition:

OK to freeze

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属性

Quality Level

100

description

Merck USA index - 14, 5302

assay

≥98% (HPLC)

form

solid

potency

26 μM IC₅₀

manufacturer/tradename

Calbiochem^®

storage condition

OK to freeze

color

off-white

shipped in

ambient

storage temp.

2-8°C

SMILES string

Clc1c(ccc(c1)Cl)[C@]3(O[C@@H](CO3)COc4ccc(cc4)N5CCN(CC5)C(=O)C)C[n]2cncc2

InChI

1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1

InChI key

XMAYWYJOQHXEEK-ZEQKJWHPSA-N

说明

General description

An inhibitor of cytochrome P-450 in steroid biosynthesis. An anti-fungal agent that displays potent anti-metastatic, anti-neoplastic, and anti-psoriatic activities. Also acts as an inhibitor of 5-lipoxygenase (5-LO; IC₅₀ = 26 µM) and thromboxane synthase activities.

Biochem/physiol Actions

Primary Target
5-LO

Other Notes

Due to the nature of the Hazardous Materials in this shipment, additional shipping charges may be applied to your order. Certain sizes may be exempt from the additional hazardous materials shipping charges. Please contact your local sales office for more information regarding these charges.

van Wauwe, J.P., and Janssen, P.A.J. 1989. J. Med. Chem. 32, 2231.
Beetens, J.R., et al. 1986. Biochem. Pharmacol. 35, 883.
Lambert, A., et al. 1986. Biochem. Pharmacol. 35, 3999.
Tucker, W.F.G., and MacNeil, S. 1986. Br. Med. J. 293, 882.
Lelcuk, S., et al. 1984. J. Trauma 24, 393.

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Disclaimer

Toxicity: Toxic & Carcinogenic / Teratogenic (G)

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pictograms

GHS06,GHS08,GHS09

signalword

Danger

hcodes

H301,H360F,H373,H410

pcodes

P202 - P260 - P264 - P273 - P280 - P301 + P310

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 1B - STOT RE 2

存储类别

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c