| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| ln Vitro |
In biochemical and cellular experiments, H3B-6545 is a highly selective small molecule that efficiently opposes both wild-type and mutant ERα. Increased cellular potency of H3B-6545 under continuous and washout treatment settings was validated by in vitro comparisons with standard care and other experimental reagents [1]. H3B-6545 belongs to a new class of ERα antagonists called selective ER covalent antagonists (SERCA), which bind C530 and force an antagonistic conformation that inactivates both wild-type and mutant ERα. A first-class selective ER covalent antagonist (SERCA) is H3B-6545. H3B-6545 suppresses the development of ERαWT-positive breast cancer cell lines and ERαWT activity. H3B-6545 is an efficient inhibitor of ERαWT activity that also prevents ERαWT-positive breast cancer cell lines from proliferating. The GI50s of the following cell lines: MCF7, HCC1428, BT483, T47D, and CAMA-1 are 0.3-0.4, 1.0, 0.5, 5.2, and 0.2 nM [1].
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| ln Vivo |
Using the MCF-7 xenograft model, once-daily oral administration of H3B-6545 showed better activity and efficacy than fulvestrant in vivo. The peak antitumor efficacy was reached at a dose that was ten times lower than the highest dose that mice could tolerate. H3B-6545 additionally shown enhanced anti-tumor effectiveness against fulvestrant and tamoxifen in patient-derived xenograft models of estrogen receptor-positive breast cancer, including those with ERα mutations in rats and monkeys. H3B-6545's oncological action was well tolerated over a wide range of exposure and doses. greatly beyond the quantity needed in mouse xenograft models in order to be effective [1].
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| References |
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| Molecular Formula |
C30H30CLF4N5O2
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|---|---|
| Molecular Weight |
604.038119792938
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| Exact Mass |
603.202
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| CAS # |
2052132-51-9
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| Related CAS # |
H3B-6545;2052130-80-8
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| PubChem CID |
124091099
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| Appearance |
White to yellow solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
42
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| Complexity |
906
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| Defined Atom Stereocenter Count |
0
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| SMILES |
Cl.FC(C/C(/C1C=CC=CC=1)=C(/C1C=NC(=CC=1)OCCNC/C=C/C(N(C)C)=O)\C1C=CC2C(=C(NN=2)F)C=1)(F)F
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| InChi Key |
KNSVJVMDHBDKJL-XVBKFJSKSA-N
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| InChi Code |
InChI=1S/C30H29F4N5O2.ClH/c1-39(2)27(40)9-6-14-35-15-16-41-26-13-11-22(19-36-26)28(21-10-12-25-23(17-21)29(31)38-37-25)24(18-30(32,33)34)20-7-4-3-5-8-20;/h3-13,17,19,35H,14-16,18H2,1-2H3,(H,37,38);1H/b9-6+,28-24-;
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| Chemical Name |
(E)-N,N-dimethyl-4-[2-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridin-2-yl]oxyethylamino]but-2-enamide;hydrochloride
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~83.33 mg/mL (~137.95 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.44 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (3.44 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (3.44 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6555 mL | 8.2776 mL | 16.5552 mL | |
| 5 mM | 0.3311 mL | 1.6555 mL | 3.3110 mL | |
| 10 mM | 0.1656 mL | 0.8278 mL | 1.6555 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
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.
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