Sebetralstat hydrochloride
Based on 1 publication(s) in Google Scholar
Sebetralstat hydrochloride (KVD900 hydrochloride) 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 hydrochloride 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 hydrochloride 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 hydrochloride can be used in research related to hereditary angioedema (HAE).
For research use only. We do not sell to patients.
- CAS No.: 2163789-76-0
- Formula: C26H26FN5O4·xHCl
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Biological Activity
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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) hydrochloride 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) hydrochloride inhibits plasma kallikrein activity in DXS-activated human whole plasma, with an IC50 of 54 nM[2].
Sebetralstat (1 h) hydrochloride 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) hydrochloride exhibits an intrinsic clearance of 14 μL/min/mg of protein in human liver microsomes[2].
Sebetralstat hydrochloride exhibits no significant inhibitory effect on hERG channels expressed in CHO cells, with an IC50 >33 μM[2].
Sebetralstat hydrochloride 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. Further protocols information, click here.
Parmacokinetics
Chemical Information
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CAS No. 2163789-76-0
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Formula C26H26FN5O4·xHCl
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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.Cl.[x]
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Synonyms
KVD900 hydrochloride
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Publications (1)
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Journal Impact Factor
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Most Recent
Protocols
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Cell Cytotoxicity Assay
Cytotoxicity assays are usually based on the assessment of cell membrane damage, which can also be indirectly detected by measuring cell viability. Detection methods include MTT assay, CKK-8 assay, LDH assay and ATP assay, etc.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Sebetralstat hydrochloride Related Classifications
HY-132830A Related Classifications
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Keywords
- Sebetralstat
- 2163789-76-0
- 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