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| 1mg |
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Purity: ≥98%
Inecalcitol is a novel vitamin D analog that acts as a VDR agonist. It can inhibit the growth of human breast cancer cells in vitro and in vivo.
| ln Vitro |
LNCaP cells treated with ecalcitol (0.1–10 nM) for 48 hours showed a dose-dependent reduction in Pim-1 protein and mRNA expression. Moreover, ecalcitol (0.1–10 nM; 48 hours) dose-dependently lowers ETV1 expression levels. LNCaP and HL-60 cell growth is inhibited by ecalcitol (10–14 days) with ED50 values of 4.0 nM and 0.28 nM, respectively [1].
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| ln Vivo |
For 42 days, ecalcitol (1.3 mg/kg; intraperitoneally; three times weekly) suppresses the growth of human malignancies that respond to androgens in vivo [1]. Pharmacokinetic analyses demonstrate that inecalcitol's axial half-life (using the C57Bl/6J mouse model;
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| Cell Assay |
Western Blot Analysis [1]
Cell Types: LNCaP Cell Tested Concentrations: 0.1 nM [1]. , 1 nM, 10 nM Incubation Duration: 48 hrs (hours) Experimental Results: Caused a dose-dependent decrease in the expression of Pim-1 protein and mRNA. |
| Animal Protocol |
Animal/Disease Models: Male BNX nu/nu (nude) mice (8 weeks old) injected with LNCaP cells [1]
Doses: 1.3 mg/kg Route of Administration: ip; 1.3 mg/kg; ip) and 18.3 minutes in mice [1]. 3 times a week; 42 days Experimental Results: Inhibits the growth of androgen-responsive prostate cancer in the body. |
| References |
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| Additional Infomation |
Inecalcitol is an analog of calcitriol and a vitamin D3 receptor (VDR) agonist, with potential antineoplastic activity. Upon administration, inecalcitol targets and binds to VDR. This activates VDR and VDR-mediated signal transduction pathways. This modulates the VDR-mediated expression of certain genes, including the expression of anti-cancer genes, enhances cellular differentiation, induces tumor cell apoptosis and inhibits tumor cell growth. VDR plays a central role in calcium homeostasis and in the growth of certain cancer cells.
Drug Indication Investigated for use/treatment in prostate cancer, psoriasis and hyperparathyroidism. Mechanism of Action Inecalcitol is an analogue of calcitriol, the naturally active metabolite of vitamin D. Calcitriol and their analogues activate the vitamin D receptor (VDR). Vitamin D has a major role in regulating calcium absorption from the gut, storage in mineral form in the bones, and excretion by the kidney and effectively prevents rickets in infants. Vitamin D and calcitriol can cause hypercalcemia at high or frequently repeated doses; in turn, hypercalcemia can cause kidney toxicity by accumulation of calcium-containing micro-crystals and heart and muscle dysfunction by impairing contractions. [Hybrigenics Website] The mechanism of action is currently unknown, but it is proposed that inecalcitol exerts its superagonistic action through enhancing coactivator binding by the VDR. |
| Molecular Formula |
C26H40O3
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|---|---|
| Molecular Weight |
400.59400844574
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| Exact Mass |
400.297
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| CAS # |
163217-09-2
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| PubChem CID |
6915835
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
568.6±50.0 °C at 760 mmHg
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| Flash Point |
244.6±24.7 °C
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| Vapour Pressure |
0.0±3.5 mmHg at 25°C
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| Index of Refraction |
1.627
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| LogP |
5.05
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
29
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| Complexity |
707
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| Defined Atom Stereocenter Count |
6
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| SMILES |
C[C@H](CC#CC(C)(C)O)[C@H]1CC[C@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C
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| InChi Key |
HHGRMHMXKPQNGF-WNSNRMDMSA-N
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| InChi Code |
InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24-,26-/m1/s1
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| 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
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| Synonyms |
TX522 TX 522 TX-522
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~249.63 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4963 mL | 12.4816 mL | 24.9632 mL | |
| 5 mM | 0.4993 mL | 2.4963 mL | 4.9926 mL | |
| 10 mM | 0.2496 mL | 1.2482 mL | 2.4963 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT02949570 | UNKNOWN STATUS | Drug: Inecalcitol | CML, Chronic Phase | Hybrigenics Corporation | 2014-02 | Phase 2 |
| NCT02802267 | UNKNOWN STATUS | Drug: Inecalcitol Drug: Placebo Oral Tablet |
Acute Myelogenous Leukemia | Hybrigenics Corporation | 2016-06 | Phase 2 |
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