Calcifediol
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| Category | Raw Materials of Healthcare Products |
| Catalog number | BBF-05871 |
| CAS | 19356-17-3 |
| Molecular Weight | 400.64 |
| Molecular Formula | C27H44O2 |
| Purity | >98% |
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Description
Calcifediol is a major circulating metabolite of vitamin D3 and acts as a competitive inhibitor with an apparent Ki of 3.9 μM. It also suppresses PTH secretion and mRNA (ED50=2 nM).
Specification
| Related CAS | 63283-36-3 (monohydrate) |
| Synonyms | (3β,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-3,25-diol; 25-Hydroxycholecalciferol; 25-Hydroxyvitamin D; 25-Hydroxyvitamin D3; Calcidiol; Didrogyl; Hidroferol; Ro 8-8892; U 32070E; 25-OH Vitamin D3; Rayaldee; 5,6-cis-25-Hydroxyvitamin D3; (3S,5Z,7E,20R)-9,10-Secocholesta-5,7,10-triene-3,25-diol; 1H-Indene-1-pentanol, octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-α,α,ε,7a-tetramethyl-, (εR,1R,3aS,4E,7aR)- |
| Storage | Store at -20°C under inert atmosphere |
| IUPAC Name | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol |
| Canonical SMILES | CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C |
| InChI | InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1 |
| InChI Key | JWUBBDSIWDLEOM-DTOXIADCSA-N |
Properties
| Appearance | White to Off-white Solid |
| Application | treatment of osteoporosis |
| Boiling Point | 529.2±33.0°C (Predicted) |
| Melting Point | 92-98°C |
| Density | 1.01±0.1 g/cm3 (Predicted) |
| Solubility | Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| LogP | 6 |
Toxicity
| Carcinogenicity | No indication of carcinogenicity to humans (not listed by IARC). |
| Mechanism Of Toxicity | Calcidiol is transformed in the kidney by 25-hydroxyvitamin D3-1-(alpha)-hydroxylase to calcitriol, the active form of vitamin D3. Calcitriol binds to intracellular receptors that then function as transcription factors to modulate gene expression. Like the receptors for other steroid hormones and thyroid hormones, the vitamin D receptor has hormone-binding and DNA-binding domains. The vitamin D receptor forms a complex with another intracellular receptor, the retinoid-X receptor, and that heterodimer is what binds to DNA. In most cases studied, the effect is to activate transcription, but situations are also known in which vitamin D suppresses transcription. Calcitriol increases the serum calcium concentrations by: increasing GI absorption of phosphorus and calcium, increasing osteoclastic resorption, and increasing distal renal tubular reabsorption of calcium. Calcitriol appears to promote intestinal absorption of calcium through binding to the vitamin D receptor in the mucosal cytoplasm of the intestine. Subsequently, calcium is absorbed through formation of a calcium-binding protein. |
Reference Reading
1.Calcitriol/calcifediol ratio: An indicator of vitamin D hydroxylation efficiency?
Pasquali M1, Tartaglione L1, Rotondi S1, Muci ML1, Mandanici G1, Farcomeni A2, Marangella M3, Mazzaferro S1. BBA Clin. 2015 Mar 14;3:251-6. doi: 10.1016/j.bbacli.2015.03.004. eCollection 2015.
BACKGROUND: Calcifediol (25D) availability is crucial for calcitriol (1,25D) synthesis, but regulation of vitamin D hydroxylases is majorly responsible for 1,25D synthesis. The net efficiency of vitamin D hydroxylases might be informative. We assume that the ratio between calcitriol and calcifediol (25D/1,25D) serum concentrations could suggest the vitamin D hydroxylation efficiency.
2.[Vitamin D deficiency in chronic liver disease, clinical-epidemiological analysis and report after vitamin d supplementation].
Fernández Fernández N1, Linares Torres P2, Joáo Matias D2, Jorquera Plaza F2, Olcoz Goñi JL2. Gastroenterol Hepatol. 2015 Nov 16. pii: S0210-5705(15)00245-9. doi: 10.1016/j.gastrohep.2015.10.003. [Epub ahead of print]
INTRODUCTION: Vitamin D (VD) is known to have multiple extra-skeletal health functions. There is emerging interest in exploring the relationship between vitamin D and chronic liver disease (CLD).
3.[Study on levels of serum phosphorus, bone alkaline phosphatase and 25-hydroxyvitamin D in preterm infants with very low birth weight].
Tian Y1, Wu H2. Zhonghua Liu Xing Bing Xue Za Zhi. 2015 Nov;36(11):1288-90.
OBJECTIVE: To compare the levels of serum phosphorus, bone alkaline phosphatase and 25-hydroxyvitamin D3 in preterm infants with very low birth weight, and provide evidence for early screening, prevention of metabolic bone disease in preterm infants.
4.The clinical effect of vitamin D supplementation combined with grass-specific sublingual immunotherapy in children with allergic rhinitis.
Jerzynska J1, Stelmach W, Rychlik B, Lechańska J, Podlecka D, Stelmach I. Allergy Asthma Proc. 2016 Mar;37(2):105-14. doi: 10.2500/aap.2016.37.3921.
BACKGROUND: An important issue in sublingual immunotherapy (SLIT) is how to improve efficacy.
Spectrum
GC-MS Spectrum - GC-MS (2 TMS)
Experimental Conditions
Instrument Type: GC-MS
Chromatography Type: GC
Retention Index Type: based on 9 n-alkanes (C10-C36)
Retention Index: 3288.34
Column Type: 5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type: 2 TMS
Derivative Formula: C33H60O2Si2
Derivative Molecular Weight: 545.0
Chromatography Type: GC
Retention Index Type: based on 9 n-alkanes (C10-C36)
Retention Index: 3288.34
Column Type: 5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type: 2 TMS
Derivative Formula: C33H60O2Si2
Derivative Molecular Weight: 545.0
Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive
Experimental Conditions
Ionization Mode: Positive
Ionization Energy: 70 eV
Chromatography Type: Gas Chromatography Column (GC)
Instrument Type: Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution: 0.0001 Da
Molecular Formula: C27H44O2
Molecular Weight (Monoisotopic Mass): 400.3341 Da
Molecular Weight (Avergae Mass): 400.6371 Da
Ionization Energy: 70 eV
Chromatography Type: Gas Chromatography Column (GC)
Instrument Type: Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution: 0.0001 Da
Molecular Formula: C27H44O2
Molecular Weight (Monoisotopic Mass): 400.3341 Da
Molecular Weight (Avergae Mass): 400.6371 Da
Predicted LC-MS/MS Spectrum - 10V, Positive
Experimental Conditions
Ionization Mode: Positive
Collision Energy: 10 eV
Instrument Type: QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution: 0.0001 Da
Molecular Formula: C27H44O2
Molecular Weight (Monoisotopic Mass): 400.3341 Da
Molecular Weight (Avergae Mass): 400.6371 Da
Collision Energy: 10 eV
Instrument Type: QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution: 0.0001 Da
Molecular Formula: C27H44O2
Molecular Weight (Monoisotopic Mass): 400.3341 Da
Molecular Weight (Avergae Mass): 400.6371 Da
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
