163217-09-2
163217-09-2 structure
- Name: Inecalcitol
- Chemical Name: (1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
- CAS Number: 163217-09-2
- Molecular Formula: C26H40O3
- Molecular Weight: 400.594
- Catalog: Signaling Pathways Apoptosis Apoptosis
- Create Date: 2018-07-25 14:35:36
- Modify Date: 2024-01-02 21:34:05
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Inecalcitol (TX 522), a unique vitamin D3 analog, is an orally active vitamin D receptor (VDR) agonist with a Kd of 0.53 nM. Inecalcitol can induce cell apoptosis and has potent anticancer activities[1][2][3][4].
| Name | (1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol |
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| Synonyms |
(1R,3R,7E,14β,17β)-17-[(2R)-6-Hydroxy-6-methyl-4-heptyn-2-yl]-9,10-secoestra-5,7-diene-1,3-diol
1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aR,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethyl-3-hexyn-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3R)- UNII:05FZV98342 19-Nor-14-epi-23-yne-1,25 dihydroxyvitamin D3 TX 522 Inecalcitol (7E)-(1R,3R,14R)-19-nor-23-yne-9,10-seco-5,7-cholestadiene-1,3,25-triol MFCD09838524 |
| Description | Inecalcitol (TX 522), a unique vitamin D3 analog, is an orally active vitamin D receptor (VDR) agonist with a Kd of 0.53 nM. Inecalcitol can induce cell apoptosis and has potent anticancer activities[1][2][3][4]. |
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| Related Catalog | |
| Target |
Kd: 0.53 nM (vitamin D receptor (VDR))[2] |
| In Vitro | Inecalcitol (0.1-10 nM; 48 hours) treatment of LNCaP cells results in decreased expression of both protein and mRNA of Pim-1 in a dose-dependent manner. Inecalcitol (0.1-10 nM; 48 hours) also decreases ETV1 expression levels in a dose-dependent manner[1]. Inecalcitol (10-14 days) inhibits the growth of LNCaP and HL-60 cells with ED50 values of 4.0 nM and 0.28 nM, respectively[1]. Western Blot Analysis[1] Cell Line: LNCaP cells Concentration: 0.1 nM, 1 nM, 10 nM Incubation Time: 48 hours Result: Resulted in decreased expression of both protein and mRNA of Pim-1 in a dose-dependent manner. |
| In Vivo | Inecalcitol (1.3 mg/kg; i.p.; 3 times per week; for 42 days) inhibits androgen-responsive prostate cancer growth in vivo[1]. Pharmacokinetic studies show that plasma half-life of Inecalcitol (C57Bl/6J mice; 1.3 mg/kg; i.p.) is 18.3 minutes in mice[1]. Animal Model: Male BNX nu/nu mice (8 weeks of age) injected with LNCaP cells[1] Dosage: 1.3 mg/kg Administration: i.p.; 3 times per week; for 42 days Result: Inhibited androgen-responsive prostate cancer growth in vivo. |
| References |
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 568.6±50.0 °C at 760 mmHg |
| Molecular Formula | C26H40O3 |
| Molecular Weight | 400.594 |
| Flash Point | 244.6±24.7 °C |
| Exact Mass | 400.297760 |
| PSA | 60.69000 |
| LogP | 5.05 |
| Vapour Pressure | 0.0±3.5 mmHg at 25°C |
| Index of Refraction | 1.627 |