ZK168281
Modify Date: 2025-10-05 15:56:30
ZK168281 structure
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Common Name | ZK168281 | ||
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| CAS Number | 186371-96-0 | Molecular Weight | 510.70500 | |
| Density | 1.151g/cm3 | Boiling Point | 652.937ºC at 760 mmHg | |
| Molecular Formula | C32H46O5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 204.377ºC | |
Use of ZK168281ZK168281 is a 25-carboxylic ester 1α,25(OH)2D3 analog and a pure VDR antagonist with a Kd value of 0.1 nM. ZK168281 is an effective inhibitor of the coactivator (CoA) interaction of its receptor[1]. |
| Name | Ethyl (2E)-3-{1-[(1S,3R,5Z,7E,22E,24R)-1,3,24-trihydroxy-9,10-sec ochola-5,7,10,22-tetraen-24-yl]cyclopropyl}acrylate |
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| Description | ZK168281 is a 25-carboxylic ester 1α,25(OH)2D3 analog and a pure VDR antagonist with a Kd value of 0.1 nM. ZK168281 is an effective inhibitor of the coactivator (CoA) interaction of its receptor[1]. |
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| Related Catalog | |
| Target |
Kd: 0.1 nM (VDR)[1] |
| In Vitro | ZK168281 resembles more the mouse constitutive androstane receptor (CAR) inverse agonist Androstanol in its ability to recruit corepressor (CoR) proteins. A salt bridge between the CoR and a conserved lysine in helix 4 of the nuclear receptor (NR) is central to this interaction, but also helix 12 was stabilized by direct contacts with residues of the CoR. Fixation of helix 12 in the antagonistic/inverse agonistic conformation prevents an energetically unfavorable free floatation of the C terminus[1]. |
| References |
| Density | 1.151g/cm3 |
|---|---|
| Boiling Point | 652.937ºC at 760 mmHg |
| Molecular Formula | C32H46O5 |
| Molecular Weight | 510.70500 |
| Flash Point | 204.377ºC |
| Exact Mass | 510.33500 |
| PSA | 86.99000 |
| LogP | 5.58010 |
| Vapour Pressure | 0mmHg at 25°C |
| Index of Refraction | 1.578 |
| InChIKey | FUDAEUIGIJZUAY-UMIRZPQISA-N |
| SMILES | C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)C=CC(O)C2(C=CC(=O)OCC)CC2)CC(O)CC1O |