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AB120620

Ketoconazole, cytochrome P450 inhibitor

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(1 Publication)

MW 531.4 Da, Purity >99%. Potent cytochrome P450 inhibitor (Ki values are 26.7 and 109 nM at CYP3A4 and CYP3A5, respectively). Antifungal agent. Additionally, shows activity at human androgen receptors.
1 Images
Chemical Structure - Ketoconazole, cytochrome P450 inhibitor (AB120620)
  • Chemical Structure

Lab

Chemical Structure - Ketoconazole, cytochrome P450 inhibitor (AB120620)

2D chemical structure image of ab120620, Ketoconazole, cytochrome P450 inhibitor

Key facts

CAS number

65277-42-1

Purity

>99%

Form

Solid

form

Molecular weight

531.4 Da

Molecular formula

C<sub>2</sub><sub>6</sub>H<sub>2</sub><sub>8</sub>Cl<sub>2</sub>N<sub>4</sub>O<sub>4</sub>

PubChem

456201

Nature

Synthetic

Solubility

Soluble in DMSO to 75 mM

Soluble in ethanol to 50 mM

Biochemical name

Xolegel

Biological description

Potent cytochrome P450 inhibitor (Ki values are 26.7 and 109 nM at CYP3A4 and CYP3A5, respectively). Antifungal agent. Additionally, shows activity at human androgen receptors.

Canonical smiles

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

Isomeric smiles

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

InChi

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-/m0/s1

InChiKey

XMAYWYJOQHXEEK-OZXSUGGESA-N

IUPAC Name

1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

Properties and storage information

Shipped at conditions
Ambient - Can Ship with Ice
Appropriate short-term storage conditions
+4°C
Appropriate long-term storage conditions
+4°C
Storage information
Store under desiccating conditions|The product can be stored for up to 12 months

Product protocols

Publications (1)

Recent publications for all applications. Explore the full list and refine your search

Cell death & disease 9:239 PubMed29445159

2018

Microfluidic cell sorting by stiffness to examine heterogenic responses of cancer cells to chemotherapy.

Applications

Unspecified application

Species

Unspecified reactive species

Muhymin Islam,Roman Mezencev,Brynn McFarland,Hannah Brink,Betsy Campbell,Bushra Tasadduq,Edmund K Waller,Wilbur Lam,Alexander Alexeev,Todd Sulchek
View all publications

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