CAS Number221093-45-4
Synonyms17|A-Estradiol-2,4,16,16,17-d5; (17β)-(2,4,16,16,17-H)Estra-1,3,5(10)-triene-3,17-diol
Molecular FormulaC18H19D5O2
Molecular Weight277.41
Purity98.00%
Density1.2±0.1 g/cm3
Boiling Point445.9±45.0 °C at 760 mmHg
Melting Point178-179ºC(lit.)
Appearanceliquid
EINECS200-835-2
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 221093-45-4 |
| Catalog No. | 2A-9055760 |
| Chinese Name | 17β-雌二醇-2,4,16,16,17-d5 |
| Synonyms | 17|A-Estradiol-2,4,16,16,17-d5; (17β)-(2,4,16,16,17-H)Estra-1,3,5(10)-triene-3,17-diol |
| Molecular Formula | C18H19D5O2 |
| Molecular Weight | 277.41 |
| Purity | 98.00 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 445.9±45.0 °C at 760 mmHg |
| Melting Point | 178-179ºC(lit.) |
| Appearance | liquid |
| Storage Condition | ?20°C |
| Application | Estradiol-d5 is deuterium-labeled estradiol. Estradiol is a steroid sex hormone that is essential for maintaining female fertility and secondary sexual characteristics. Estradiol upregulates the expre |
| EINECS | 200-835-2 |
| PubChem ID | 329798980 |
| MDL Number | MFCD01075456 |
| SMILES | [2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])[C@]4([2H])O)[C@@H]3CCc2c([2H])c1O |
| InChI | 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1/i3D,7D2,10D,17D |
| InChI Key | VOXZDWNPVJITMN-MOKSCAJFSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | transportation |
| MSDS | msds/55760_1_221093_45_4.pdf |
| Bioactivity | Estradiol-d5 is deuterium labeled Estradiol. Estradiol is a steroid sex hormone vital to the maintenance of fertility and secondary sexual characteristics in females. Estradiol upregulates IL-6 expression through the estrogen receptor β (ERβ) pathway[1][2][3]. Related Catalog Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Cancer Research Areas >> Endocrinology 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]. Harburger LL, et al. Dose-dependent effects of post-training estradiol plus progesterone treatment on object memory consolidation and hippocampal extracellular signal-regulated kinase activation in young ovariectomized mice. Neuroscience. 2009;160(1):6-12. [2]. Mermelstein PG, et al. Estradiol reduces calcium currents in rat neostriatal neurons via a membrane receptor. J Neurosci. 1996 Jan 15;16(2):595-604. [3]. Quanfu Huang, et al. 17β-estradiol Upregulates IL6 Expression Through the ERβ Pathway to Promote Lung Adenocarcinoma Progression. J Exp Clin Cancer Res. 2018 Jul 3;37(1):133. [4]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [5]. Woolley CS, et al. Estradiol increases the sensitivity of hippocampal CA1 pyramidal cells to NMDA receptor-mediated synaptic input: correlation with dendritic spine density. J Neurosci. 1997 Mar 1;17(5):1848-59. [6]. Woolley CS, et al. Estradiol mediates fluctuation in hippocampal synapse density during the estrous cycle in the adult rat. J Neurosci. 1992 Jul;12(7):2549-54. [7]. Woolley CS, et al. Roles of estradiol and progesterone in regulation of hippocampal dendritic spine density during the estrous cycle in the rat. J Comp Neurol. 1993 Oct 8;336(2):293-306. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 445.9±45.0 °C at 760 mmHg Melting Point 178-179ºC(lit.) Molecular Formula C18H19D5O2 Molecular Weight 277.41 Flash Point 209.6±23.3 °C Exact Mass 277.209015 PSA 40.46000 LogP 4.13 Vapour Pressure 0.0±1.1 mmHg at 25°C Index of Refraction 1.599 InChIKey VOXZDWNPVJITMN-MOKSCAJFSA-N SMILES CC12CCC3c4ccc(O)cc4CCC3C1CCC2O Storage condition ?20°C |
| Use of | Estradiol-d5 is deuterium labeled Estradiol. Estradiol is a steroid sex hormone vital to the maintenance of fertility and secondary sexual characteristics in females. Estradiol upregulates IL-6 expression through the estrogen receptor β (ERβ) pathway[1][2][3]. Properties Name (8R,9S,13S,14S,17S)-2,4,16,16,17-pentadeuterio-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-diol Synonym More Synonyms 17beta-estradiol-2,4,16,16,17-d5 Biological Activity Description Estradiol-d5 is deuterium labeled Estradiol. Estradiol is a steroid sex hormone vital to the maintenance of fertility and secondary sexual characteristics in females. Estradiol upregulates IL-6 expression through the estrogen receptor β (ERβ) pathway[1][2][3]. Related Catalog Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Cancer Research Areas >> Endocrinology 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]. Harburger LL, et al. Dose-dependent effects of post-training estradiol plus progesterone treatment on object memory consolidation and hippocampal extracellular signal-regulated kinase activation in young ovariectomized mice. Neuroscience. 2009;160(1):6-12. [2]. Mermelstein PG, et al. Estradiol reduces calcium currents in rat neostriatal neurons via a membrane receptor. J Neurosci. 1996 Jan 15;16(2):595-604. [3]. Quanfu Huang, et al. 17β-estradiol Upregulates IL6 Expression Through the ERβ Pathway to Promote Lung Adenocarcinoma Progression. J Exp Clin Cancer Res. 2018 Jul 3;37(1):133. [4]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [5]. Woolley CS, et al. Estradiol increases the sensitivity of hippocampal CA1 pyramidal cells to NMDA receptor-mediated synaptic input: correlation with dendritic spine density. J Neurosci. 1997 Mar 1;17(5):1848-59. [6]. Woolley CS, et al. Estradiol mediates fluctuation in hippocampal synapse density during the estrous cycle in the adult rat. J Neurosci. 1992 Jul;12(7):2549-54. [7]. Woolley CS, et al. Roles of estradiol and progesterone in regulation of hippocampal dendritic spine density during the estrous cycle in the rat. J Comp Neurol. 1993 Oct 8;336(2):293-306. Chemical & Physical Properties Molecular Formula C18H19D5O2 Exact Mass 277.209015 PSA 40.46000 Index of Refraction 1.599 InChIKey VOXZDWNPVJITMN-MOKSCAJFSA-N |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 1648 International Maritime Transport Danger Regulations: 1648 International Air Transport Danger Regulations: 1648 14.2 United Nations shipping name European land transport hazard code: ACETONITRILE, solution IMDG Code: ACETONITRILE, solution IMDG: Acetonitrile, solution 14.3 Transport hazard categories European land transport Dangerous Regulations: 3 International sea transport Dangerous Regulations: 3 International air transport Dangerous Regulations: 3 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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