Tacalcitol monohydratePromotes normal bone development by regulating calcium CAS# 93129-94-3 |
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Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 93129-94-3 | SDF | Download SDF |
| PubChem ID | 5282177 | Appearance | Powder |
| Formula | C27H46O4 | M.Wt | 434.65 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Synonyms | 1,24(R)-Dihydroxyvitamin D3 monohydrate | ||
| Solubility | DMSO | ||
| Chemical Name | (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | ||
| SMILES | CC(C)C(CCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O | ||
| Standard InChIKey | BJYLYJCXYAMOFT-BLOFVXHKSA-N | ||
| Standard InChI | InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10+/t18-,22-,23-,24+,25+,26+,27-/m1/s1 | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | Tacalcitol monohydrate (1,24(R)-Dihydroxyvitamin D3; 1.alpha.,24R-Dihydroxyvitamin D3) promotes normal bone development by regulating calcium.
IC50 value:
Target:
Tacalcitol modulates immunological and inflammatory processes. Tacalcitol induces nerve growth factor production in epidermal keratinocytes. References: | |||||
Tacalcitol monohydrate Dilution Calculator
Tacalcitol monohydrate Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 2.3007 mL | 11.5035 mL | 23.007 mL | 46.014 mL | 57.5175 mL |
| 5 mM | 0.4601 mL | 2.3007 mL | 4.6014 mL | 9.2028 mL | 11.5035 mL |
| 10 mM | 0.2301 mL | 1.1504 mL | 2.3007 mL | 4.6014 mL | 5.7518 mL |
| 50 mM | 0.046 mL | 0.2301 mL | 0.4601 mL | 0.9203 mL | 1.1504 mL |
| 100 mM | 0.023 mL | 0.115 mL | 0.2301 mL | 0.4601 mL | 0.5752 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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Tacalcitol(1,24(R)-Dihydroxyvitamin D3, monohydrate; Tacalcitol monohydrate) is a VDR-like Receptor promotes normal bone development by regulating calcium. Tacalcitol (1,24(R)-Dihydroxyvitamin D3, monohydrate; Tacalcitol monohydrate) modulates immunological and inflammatory processes. Tacalcitol induces nerve growth factor production in epidermal keratinocytes.
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Dimer and superstructure of the active form of a vitamin D3; 1 alpha,24(R)dihydroxy-vitamin D3 monohydrate, C27O3H44.H2O.[Pubmed:11253921]
Chem Pharm Bull (Tokyo). 2001 Mar;49(3):305-11.
The crystals of 1alpha24(R)dihydroxy-vitamin D3 monohydrate, C27O3H44.H2O are orthorhombic in the space group P2(1)2(1)2(1) with cell dimensions a=25.719, b=42.572, c=9.851A and Z=16. The asymmetric unit consists of two subunits with b/8, and each subunit contains a dimer in which two molecules are hydrogen-bonded through water molecules into non-crystallographical symmetry of C2. The two-fold axes are the straight lines, x=1/2, z=0.256 and x=1/2, z=0.623. The two dimers are the same in the rigid ring part, but differ in the conformation of the flexible chains. The dimers further make C2 symmetry between the rigid ring parts to form a superstructure, and the two-fold axis of the straight line, y=1/8, z=0.435 goes through a point that is a little apart from the hypercenter (1/2, 1/8, 1/2). The structure was solved by integrated Patterson and direct methods and refined on Fo2 under restraints. The final R1 is 0.228 on Fo for 1623 reflections with Fo>3sigma, resolutions 1.0-3.0 A, 313 restraints, 490 parameters and average Ueq=0.120. Not all the atoms of the chains appeared nor the hydrogen atoms. The missing atoms of the dimer were modeled from another pair molecule by C2 symmetry and hydrogen atoms were added. The structure of the dimer was optimized by ab initio molecular orbital of HF/6-31G.
