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Estradiol hemihydrate

Alias: ESTRADIOL HEMIHYDRATE; 35380-71-3; beta-Estradiol semihydrate; UNII-CXY7B3Q98Z; CXY7B3Q98Z; Estra-1,3,5(10)-triene-3,17beta-diol hydrate (2:1); beta-Estradiol hemihydrate; Estrasorb (TN);
Cat No.:V44714 Purity: ≥98%
Estradiol (β-Estradiol) hemihydrate is a steroid hormone and the main female sex hormone.
Estradiol hemihydrate
Estradiol hemihydrate Chemical Structure CAS No.: 35380-71-3
Product category: New3
This product is for research use only, not for human use. We do not sell to patients.
Size Price
500mg
1g
Other Sizes

Other Forms of Estradiol hemihydrate:

  • Alpha-Estradiol
  • Estradiol (β-Estradiol)
  • Estradiol-d3 (β-Estradiol-d3; 17β-Estradiol-d3; 17β-Oestradiol-d3)
  • Estradiol-d4 (β-Estradiol-d4; 17β-Estradiol-d4; 17β-Oestradiol-d4)
  • Estradiol-d5
  • Estradiol-13C2
  • Estradiol Cypionate (Depoestradiol)
  • Estradiol Benzoate
  • Estradiol enanthate
  • Estradiol-d2 (β-Estradiol-d2; 17β-Estradiol-d2; 17β-Oestradiol-d2)
  • Estradiol-d2-1
  • Estradiol valerate (β-estradiol 17-valerate)
  • Estradiol dipropionate
  • Ethinyl Estradiol (Ethynylestradiol)
  • Estradiol 3-sulfamate (BLE 00084)
  • Estradiol undecylate
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Top Publications Citing lnvivochem Products
Product Description
Estradiol (β-Estradiol) hemihydrate is a steroid hormone and the main female sex hormone. Estradiol (β-Estradiol) hemihydrate upregulates the expression of neural markers and promotes neural differentiation of human endometrial stem cells (hEnSCs). Estradiol (β-Estradiol) hemihydrate may be utilized in the research related to cancer, neurodegenerative diseases, and neural tissue engineering.
Biological Activity I Assay Protocols (From Reference)
Targets
ER
ln Vitro
Human endometrial stem cells (hEnSC) are exposed to estradiol hemihydrate (10 nM) for seven days, during which time it promotes neurite branching and neural development [1]. In hEnSC-differentiated neuronal-like cells, estradiol hemihydrate (17β-estradiol, 10 nM, 7 days) enhances the expression of neuron-like cell markers (Tuj-1, nestin, and NF-H) [1]. Assay for cell differentiation [1]
ln Vivo
Estradiol hemihydrate (1 nM, hippocampal slices from FBN-ARO-KO mice) recovers long-term potentiation (LTP) amplitude [1]. Estradiol hemihydrate (0.0167 mg, subcutaneously implanted in FBN-ARO-KO mice) cures molecular and functional abnormalities in FBN-ARO-KO animals [1].
Cell Assay
Cell differentiation assay[1]
Cell Types: Human endometrial stem cells (hEnSC) isolated from human endometrial tissue
Tested Concentrations: 10 nM
Incubation Duration: 7 days
Experimental Results: Neural markers (Tuj-1, Nestin and NF The percentage increases of -H)-positive cells were 62.2±1.3%, 71.5±4% and 51.2±1.5%, respectively.

Immunofluorescence[1]
Cell Types: Human endometrial stem cells (hEnSC) isolated from human endometrial tissue
Tested Concentrations: 10 nM
Incubation Duration: 7 days
Experimental Results: Neural markers (Tuj-1, Nestin and NF- H) The percentage increases of positive cells were 62.2±1.3%, 71.5±4% and 51.2±1.5% respectively.
Animal Protocol
Animal/Disease Models: FBN-ARO-KO mice [2]
Doses: 1 nM
Route of Administration: Treatment of hippocampal slices
Experimental Results: Long-term potentiation (LTP) amplitude was restored in both male and female mice.

Animal/Disease Models: FBN-ARO-KO mice [2]
Doses: 0.0167 mg
Route of Administration: Alzet minipump containing estradiol (subcutaneously (sc) (sc) implanted) was used, and examinations were performed 7 days after minipump implantation.
Experimental Results: E2 levels in the hippocampus and cortex were restored to 93%, AKT, ERK and CREB phosphorylation in the hippocampus and cortex were restored to 90-95%, BDNF levels were restored to 80-90%, and forebrain synaptophysin and PSD95 were restored. Rescues spatial learning and memory deficits.
References

[1]. Elham Hasanzadeh. Defining the role of 17β-estradiol in human endometrial stem cells differentiation into neuron-like cells. Cell Biol Int. 2021 Jan;45(1):140-153.

[2]. Neuron-Derived Estrogen Regulates Synaptic Plasticity and Memory. J Neurosci. 2019 Apr 10;39(15):2792-2809.

Additional Infomation
Estradiol Hemihydrate is the hemihydrate form of estradiol, the most potent, naturally produced estrogen. Estradiol hemihydrate diffuses through the cell membrane and binds to and subsequently activates the nuclear estrogen receptor found in the reproductive tract, breast, pituitary, hypothalamus, liver, and bone. The activated complex binds to the estrogen response element on the DNA and activates the transcription of genes involved in the functioning of the female reproductive system and secondary sex characteristics.
The 17-beta-isomer of estradiol, an aromatized C18 steroid with hydroxyl group at 3-beta- and 17-beta-position. Estradiol-17-beta is the most potent form of mammalian estrogenic steroids.
See also: Estradiol (has active moiety) ... View More ...
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
2[C18H24O2].H2O
Exact Mass
562.365
CAS #
35380-71-3
Related CAS #
Alpha-Estradiol;57-91-0;Estradiol (Standard);50-28-2;Estradiol-d3;79037-37-9;Estradiol-d4;66789-03-5;Estradiol-d5;221093-45-4;Estradiol-13C2;82938-05-4;Estradiol (cypionate);313-06-4;Estradiol benzoate;50-50-0;Estradiol enanthate;4956-37-0;Estradiol hemihydrate;35380-71-3;Estradiol-d2;53866-33-4;Estradiol-13C6;Estradiol-d2-1;3188-46-3;rel-Estradiol-13C6; 979-32-8 (valerate); 113-38-2 (dipropionate); 57-63-6 (ethinyl); 172377-52-5 (sulfamate); 3571-53-7 (undecylate)
PubChem CID
154274
Appearance
Typically exists as solid at room temperature
Boiling Point
445.9ºC at 760mmHg
Flash Point
209.6ºC
LogP
3.544
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Heavy Atom Count
41
Complexity
382
Defined Atom Stereocenter Count
10
SMILES
O.OC1C=CC2[C@H]3CC[C@@]4([C@H](CC[C@H]4[C@@H]3CCC=2C=1)O)C.OC1C=CC2[C@H]3CC[C@@]4([C@H](CC[C@H]4[C@@H]3CCC=2C=1)O)C
InChi Key
ZVVGLAMWAQMPDR-WVEWYJOQSA-N
InChi Code
InChI=1S/2C18H24O2.H2O/c2*1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;/h2*3,5,10,14-17,19-20H,2,4,6-9H2,1H3;1H2/t2*14-,15-,16+,17+,18+;/m11./s1
Chemical Name
(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;hydrate
Synonyms
ESTRADIOL HEMIHYDRATE; 35380-71-3; beta-Estradiol semihydrate; UNII-CXY7B3Q98Z; CXY7B3Q98Z; Estra-1,3,5(10)-triene-3,17beta-diol hydrate (2:1); beta-Estradiol hemihydrate; Estrasorb (TN);
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Calculator

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

Clinical Trial Information
Estrogen (Gel)Transdermal vs Oral Estrogen for Endometrial Preparation
CTID: NCT05802303
Phase: N/A
Status: Terminated
Date: 2024-03-28
A Phase III randomized controlled trial comparing the
EudraCT: 2022-001045-21
Phase: Phase 3
Status: Ongoing
Date: 2023-04-10
Improving diagnostics in cervical dysplasia
EudraCT: 2022-000269-42
Phase: Phase 4
Status: Ongoing
Date: 2022-06-08
A long-term follow-up study to assess bone mineral density in subjects with uterine fibroids completing the Phase 3 studies of linzagolix, PRIMROSE 1 or PRIMROSE 2
EudraCT: 2021-000452-19
Phase: Phase 3
Status: Ongoing, Completed
Date: 2021-04-29
A double-blind randomized extension study to assess the long-term efficacy and safety of linzagolix in subjects with endometriosis-associated pain.
EudraCT: 2019-002410-39
Phase: Phase 3
Status: Ongoing, Completed
Date: 2020-04-14
Effects of Vaginal Estrogens on Serum Estradiol Levels in Postmenopausal Women with Breast Cancer Taking an Aromatase Inhibitor.
EudraCT: 2019-001234-34
Phase: Phase 4
Status: Ongoing
Date: 2020-04-08
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