Determine the necessary mass, volume, or concentration for preparing a solution.
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SKU | Size | Availability | Price | Qty |
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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 |
Specifications & Purity | Moligand™ |
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Grade | Moligand™ |
Action Type | INHIBITOR |
Mechanism of action | Inhibitor of CYP11A1;Inhibitor of CYP11B1;Inhibitor of CYP19A1;Inhibitor of CYP21A2;Inhibitor of CYP7A1 |
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Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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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 |
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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 | 638701 |
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ChEMBL Ligand | CHEMBL319160 |
CAS Registry No. | 79156-75-5 |
RCSB PDB Ligand | KTN |
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