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Sevasemten 2417395-15-2

Sevasemten 2417395-15-2

CAS No.: 2417395-15-2

Sevasemten is an allosteric inhibitor of skeletal muscle myosin. Sevasemten selectively inhibits myosin with IC50 ≤ 10
Data collection:peptidedb@qq.com

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Sevasemten is an allosteric inhibitor of skeletal muscle myosin. Sevasemten selectively inhibits myosin with IC50 ≤ 10 μM (bone) or >100 μM (heart).

Physicochemical Properties


Molecular Formula C16H11F4N5O2
Molecular Weight 381.28445649147
Exact Mass 381.084
CAS # 2417395-15-2
PubChem CID 149205919
Appearance White to off-white solid powder
LogP 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 5
Heavy Atom Count 27
Complexity 590
Defined Atom Stereocenter Count 0
SMILES

C1(=O)N(CC2=CC(F)=CN=C2)N=C(C2=CN=C(OCC(F)(F)F)N=C2)C=C1

InChi Key XFPJKQRXBAFXNK-UHFFFAOYSA-N
InChi Code

InChI=1S/C16H11F4N5O2/c17-12-3-10(4-21-7-12)8-25-14(26)2-1-13(24-25)11-5-22-15(23-6-11)27-9-16(18,19)20/h1-7H,8-9H2
Chemical Name

2-[(5-fluoropyridin-3-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
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)

Biological Activity


References

[1]. Preparation of substituted pyridazinones for use in the treatment of neuromuscular diseases: World Intellectual Property Organization, WO2021231615. 2021-11-18.

[2]. WHO Drug Information-World Health Organization (WHO).


Solubility Data


Solubility (In Vitro) DMSO : 250 mg/mL (655.69 mM)
Solubility (In Vivo) Solubility in Formulation 1: ≥ 2.08 mg/mL (5.46 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.6227 mL 13.1137 mL 26.2274 mL
5 mM 0.5245 mL 2.6227 mL 5.2455 mL
10 mM 0.2623 mL 1.3114 mL 2.6227 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.