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.
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
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