Sebetralstat
Based on 1 publication(s) in Google Scholar
Sebetralstat (KVD900) is an orally active and selective plasma kallikrein inhibitor, with an IC50 of 6.0 nM and a Ki of 3.0 nM against the human target. Sebetralstat binds to the active site of plasma kallikrein, inducing a conformational flip of Trp215 to form a U-shaped conformation; its P1 group interacts with the S1 pocket through hydrophobic interactions and displacement of high-energy water molecules, independent of the Asp189 ionic bond. Sebetralstat inhibits plasma kallikrein-kinin system activation in whole plasma, rapidly relieves laryngeal and abdominal attack symptoms of hereditary angioedema (HAE-C1INH), and reduces attack severity. Sebetralstat can be used in research related to hereditary angioedema (HAE).
For research use only. We do not sell to patients.
- Purity : 99.58%
- CAS No.: 1933514-13-6
- Formula: C26H26FN5O4
- Molecular Weight:491.51
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
Publications Citing Use of MedChemExpress (MCE) Sebetralstat
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Biological Activity
Description
IC50 & Target
[2]|
plasma kallikrein 6.0 nM (IC50) |
plasma kallikrein 3.0 nM (Ki) |
In Vitro
Sebetralstat (compound 14w) (5 min) potently and selectively inhibits isolated human plasma kallikrein, with an IC50 of 6.0 nM and a Ki of 3.0 nM[2].
Sebetralstat (5 min) inhibits plasma kallikrein activity in DXS-activated human whole plasma, with an IC50 of 54 nM[2].
Sebetralstat (1 h) exhibits an apparent permeability coefficient of 9.0 × 10-6 cm/s in a 3-day differentiated Caco-2 cell monolayer model[2].
Sebetralstat (5 μM; 0-60 min) exhibits an intrinsic clearance of 14 μL/min/mg of protein in human liver microsomes[2].
Sebetralstat exhibits no significant inhibitory effect on hERG channels expressed in CHO cells, with an IC50 >33 μM[2].
Sebetralstat exhibits no significant inhibitory effect on seven major human CYP450 isoforms, with IC50 values >25 μM for all tested isoforms[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Clinical Trial
| NCT Number | Sponsor | Condition | Start Date |
Phase
|
|---|---|---|---|---|
| NCT01329991 | Plexxikon| | 2011-05 | PHASE1 |
Chemical Information
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CAS No. 1933514-13-6
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Appearance Solid
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Molecular Weight 491.51
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Formula C26H26FN5O4
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Color White to off-white
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SMILES
O=C1C=CC=CN1CC2=CC=C(CN3N=C(COC)C(C(NCC4=NC=CC(OC)=C4F)=O)=C3)C=C2
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Synonyms
KVD900
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Publications (1)
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Journal Impact Factor
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Most Recent
Solvent & Solubility
In Vitro:
DMSO : ≥ 125 mg/mL (254.32 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
* "≥" means soluble, but saturation unknown.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Purity & Documentation
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Data Sheet (275 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
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Handling Instructions (2659 KB)
References
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
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| DMSO | 1 mM | 2.0345 mL | 10.1727 mL | 20.3455 mL | 50.8637 mL |
| 5 mM | 0.4069 mL | 2.0345 mL | 4.0691 mL | 10.1727 mL | |
| 10 mM | 0.2035 mL | 1.0173 mL | 2.0345 mL | 5.0864 mL | |
| 15 mM | 0.1356 mL | 0.6782 mL | 1.3564 mL | 3.3909 mL | |
| 20 mM | 0.1017 mL | 0.5086 mL | 1.0173 mL | 2.5432 mL | |
| 25 mM | 0.0814 mL | 0.4069 mL | 0.8138 mL | 2.0345 mL | |
| 30 mM | 0.0678 mL | 0.3391 mL | 0.6782 mL | 1.6955 mL | |
| 40 mM | 0.0509 mL | 0.2543 mL | 0.5086 mL | 1.2716 mL | |
| 50 mM | 0.0407 mL | 0.2035 mL | 0.4069 mL | 1.0173 mL | |
| 60 mM | 0.0339 mL | 0.1695 mL | 0.3391 mL | 0.8477 mL | |
| 80 mM | 0.0254 mL | 0.1272 mL | 0.2543 mL | 0.6358 mL | |
| 100 mM | 0.0203 mL | 0.1017 mL | 0.2035 mL | 0.5086 mL |
Sebetralstat Related Classifications
HY-132830 Related Classifications
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Keywords
- Sebetralstat
- 1933514-13-6
- KVD900
- KVD 900
- KVD-900
- Kallikrein
- Caco-2 cell monolayers
- human liver microsomes
- fasted state simulated gastric fluid (FaSSGF)
- hERG channel
- fasted state simulated intestinal fluid (FaSSIF)
- hereditary angioedema (HAE-C1INH)
- human serine proteases
- CYP450 isoforms
- kallikrein-kinin system
- plasma kallikrein
- Inhibitor
- inhibitor
- inhibit