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(2S,4S)-ketoconazole , CAS No.79156-75-5, Inhibitor of CYP11A1;Inhibitor of CYP11B1;Inhibitor of CYP19A1;Inhibitor of CYP21A2;Inhibitor of CYP7A1

Moligand™

CAS#: 79156-75-5
PubChem CID: 638701

Item Number

S607141

Grouped product items
SKU	Size	Availability	Price	Qty
S607141-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$700.90
S607141-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

CYP11A1 Inhibitor CYP11B1 Inhibitor CYP19A1 Inhibitor CYP21A2 Inhibitor CYP7A1 Inhibitor

Specifications & Purity

Moligand™

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of CYP11A1;Inhibitor of CYP11B1;Inhibitor of CYP19A1;Inhibitor of CYP21A2;Inhibitor of CYP7A1

Associated Targets

CYP7A1 Tchem Cholesterol 7-alpha-monooxygenase 0 Activities

Discover Target: CYP7A1

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

CYP11A1 Tclin Cholesterol side-chain cleavage enzyme, mitochondrial 0 Activities

Discover Target: CYP11A1

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

CYP3A4 Tclin Cytochrome P450 3A4 1 Activities

Discover Target: CYP3A4

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

CYP21A2 Tchem Steroid 21-hydroxylase 0 Activities

Discover Target: CYP21A2

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

CYP51A1 Tchem Lanosterol 14-alpha demethylase 0 Activities

Discover Target: CYP51A1

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

CYP11B1 Tclin Cytochrome P450 11B1, mitochondrial 0 Activities

Discover Target: CYP11B1

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

CYP19A1 Tclin Aromatase 0 Activities

Discover Target: CYP19A1

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

Names and Identifiers

IUPAC Name	1-[4-[4-[[(2S,4S)-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+/m0/s1
InChi Key	XMAYWYJOQHXEEK-JYFHCDHNSA-N
Canonical SMILES	Clc1ccc(c(c1)Cl)[C@@]1(OC[C@@H](O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1
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	638701

PubChem CID

ChEMBL Ligand

CAS Registry No.

RCSB PDB Ligand

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(2S,4S)-ketoconazole , CAS No.79156-75-5, Inhibitor of CYP11A1;Inhibitor of CYP11B1;Inhibitor of CYP19A1;Inhibitor of CYP21A2;Inhibitor of CYP7A1

Basic Description