128723-16-0

128723-16-0 structure

Name: Calcitriol-d3
Chemical 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
CAS Number: 128723-16-0
Molecular Formula: C₂₇H₄₁D₃O₃
Molecular Weight: 419.65500
Catalog: Signaling Pathways Vitamin D Related VD/VDR
Create Date: 2018-12-19 12:14:10
Modify Date: 2024-01-05 16:58:01
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].

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
Synonyms	MFCD11656440

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 >> Cancer Signaling 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.

Molecular Formula	C₂₇H₄₁D₃O₃
Molecular Weight	419.65500
Exact Mass	419.34800
PSA	60.69000
LogP	5.70470
Storage condition	20°C

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

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