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rac-trans-Ketoconazole , CAS No.83374-59-8

CAS#: 83374-59-8
Formula: C₂₆H₂₈Cl₂N₄O₄
Molecular Weight: 531.43
PubChem CID: 12854713

Item Number

R339297

Grouped product items
SKU	Size	Availability	Price	Qty
R339297-2.5mg	2.5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$380.90

Basic Description

Synonyms	trans-Ketoconazole \| 83374-59-8 \| Ketoconazole, trans- \| (2R,4R)-ketoconazole \| Ketoconazole, trans-(+/-)- \| 3INP7D7XI3 \| RS-36745 \| CHEMBL328863 \| CHEBI:48344 \| R-44319 \| 1-Acetyl-4-(4-(((2RS,4RS)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)p
Storage Temp	Store at 2-8°C
Shipped In	Wet ice

Associated Targets(Human)

CYP3A4 Tclin Cytochrome P450 3A4 (1 Activities)

Discover Target: CYP3A4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP11A1 Tclin Cytochrome P450 11A1 (1 Activities)

Discover Target: CYP11A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

Discover Target: CYP19A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP11B1 Tclin Cytochrome P450 11B1 (1750 Activities)

Discover Target: CYP11B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP7A1 Tchem Cytochrome P450 7A1 (7 Activities)

Discover Target: CYP7A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP21A2 Tchem Cytochrome P450 21 (835 Activities)

Discover Target: CYP21A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

ERG11 Cytochrome P450 51 (617 Activities)

Discover Target: ERG11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cyp2c11 Cytochrome P450 2C11 (19 Activities)

Discover Target: Cyp2c11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cyp2a2 Cytochrome P450 2A2 (6 Activities)

Discover Target: Cyp2a2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	1-[4-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
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+/m1/s1
InChi Key	XMAYWYJOQHXEEK-BVAGGSTKSA-N
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
PubChem CID	12854713
Molecular Weight	531.43

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rac-trans-Ketoconazole , CAS No.83374-59-8

Basic Description

Associated Targets(Human)

Associated Targets(non-human)

Names and Identifiers

Certificates

Certificate of Analysis(COA)

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