CAS 128723-16-0|Calcitriol-d3
| Common Name | Calcitriol-d3 | ||
|---|---|---|---|
| CAS Number | 128723-16-0 | Molecular Weight | 419.65500 |
| Density | / | Boiling Point | / |
| Molecular Formula | C27H41D3O3 | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | 57.2 °F |
| Symbol | GHS02, GHS07 | Signal Word | Danger |
Names
| Name | (1R,3S,5E)-5-[(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]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexane-1,3-diol |
|---|---|
| Synonym | More Synonyms |
Calcitriol-d3 BiologicalActivity
| Description | Calcitriol-d3 is the deuterium labeled Calcitriol[1]. Calcitriol is the most active metabolite of vitamin D and also a vitamin D receptor (VDR) agonist[2][3][4][5]. |
|---|---|
| Related Catalog | Research Areas >>CancerSignaling Pathways >>Vitamin D Related >>VD/VDR |
| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. Wang G, et al. Calcitriol Inhibits Cervical Cancer Cell Proliferation Through Downregulation of HCCR1 Expression. Oncol Res. 2014;22(5-6):301-9. [3]. Santos-Martínez N, et al. Calcitriol restores antiestrogen responsiveness in estrogen receptor negative breast cancer cells: a potential new therapeutic approach. BMC Cancer. 2014 Mar 2914:230. [4]. Dong J, et al. Calcitriol restores renovascular function in estrogen-deficient rats through downregulation of cyclooxygenase-2 and the thromboxane-prostanoid receptor. Kidney Int. 2013 Jul84(1):54-63. [5]. Chou CL, et al. Beneficial effects of calcitriol on hypertension, glucose intolerance, impairment of endothelium-dependent vascular relaxation, and visceral adiposity in fructose-fed hypertensive rats. PLoS One. 2015 Mar 1610(3):e0119843. |
Chemical & Physical Properties
| Molecular Formula | C27H41D3O3 |
|---|---|
| Molecular Weight | 419.65500 |
| Exact Mass | 419.34800 |
| PSA | 60.69000 |
| LogP | 5.70470 |
| InChIKey | GMRQFYUYWCNGIN-POLIPXRRSA-N |
| SMILES | C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(C)(C)O)CC(O)CC1O |
| Storage condition | 20°C |
Safety Information
| Symbol | GHS02, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H319 |
| Precautionary Statements | P210-P280-P305 + P351 + P338-P337 + P313-P403 + P235 |
| Hazard Codes | T |
| Risk Phrases | 24/25-26-48/25-11 |
| Safety Phrases | 28-36/37-45-16-7 |
| RIDADR | UN1170 - class 3 - PG 2 - Ethanol, solution |
| Flash Point(F) | 57.2 °F |
| Flash Point(C) | 14 °C |
Synonyms
| MFCD11656440 |
