Synonym
Hexestrol diphosphate sodium; Sodium hexestrol diphosphate
IUPAC/Chemical Name
sodium 4-((3R,4S)-4-(4-(phosphonooxy)phenyl)hexan-3-yl)phenyl hydrogen phosphate
InChi Key
QVTPDQKKWFAKFO-GNXQHMNLSA-M
InChi Code
InChI=1S/C18H24O8P2.Na/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24;/h5-12,17-18H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24);/q;+1/p-1/t17-,18+;
SMILES Code
O=P(OC1=CC=C([C@@H]([C@@H](C2=CC=C(OP(O)(O)=O)C=C2)CC)CC)C=C1)([O-])O.[Na+]
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
452.31
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Syasina IG, Shved NA. Hexestrol- and nonylphenol-induced differential vitellogenin synthesis in female and male barfin plaice Liopsetta pinnifasciata. Environ Toxicol Pharmacol. 2015 Mar;39(2):597-605. doi: 10.1016/j.etap.2015.01.014. Epub 2015 Feb 2. PubMed PMID: 25682006.
2: Chen X, Ma Y, Chen D, Ma M, Li C. Electrochemical fabrication of polymerized imidazole-based ionic liquid bearing pyrrole moiety for sensitive determination of hexestrol in chicken meat. Food Chem. 2015 Aug 1;180:142-9. doi: 10.1016/j.foodchem.2015.02.038. Epub 2015 Feb 14. PubMed PMID: 25766811.
3: Hu WY, Kang XJ, Zhang C, Yang J, Ling R, Liu EH, Li P. Packed-fiber solid-phase extraction coupled with high performance liquid chromatography-tandem mass spectrometry for determination of diethylstilbestrol, hexestrol, and dienestrol residues in milk products. J Chromatogr B Analyt Technol Biomed Life Sci. 2014 Apr 15;957:7-13. doi: 10.1016/j.jchromb.2014.02.036. Epub 2014 Mar 2. PubMed PMID: 24636894.
4: Zhu Y, Qin Tan Y, Leung LK. Assessing placental corticotrophin-releasing hormone disruption by hexestrol in a cell model. Environ Toxicol Pharmacol. 2016 Dec;48:197-202. doi: 10.1016/j.etap.2016.10.003. Epub 2016 Oct 12. PubMed PMID: 27816005.
5: Pop AR, Groza I, Miclăuş V, Ciupe S, Muţiu G, Borzan M. The influence of hexestrol diacetate on gametogene function in male rabbit. Rom J Morphol Embryol. 2011;52(1 Suppl):413-7. PubMed PMID: 21424085.
