2163789-76-0
Chemical Structure
Sebetralstat hydrochloride
Synonym(s): KVD900 hydrochloride
- CAS No.: 2163789-76-0
- Formula:C26H26FN5O4·xHCl
- Molecular Weight:N/A
IUPAC Name: 2-((1-((4-carbamimidoylbenzoyl)-L-alanyl)piperidin-4-yl)oxy)acetic acid
SMILES: O=C1C=CC=CN1CC2=CC=C(CN3N=C(COC)C(C(NCC4=NC=CC(OC)=C4F)=O)=C3)C=C2.Cl.[x]
Biological Activity: 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)[1][2].
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Sebetralstat hydrochloride | 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). | |||||||||||||||||||||
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References
- [1]. Bernstein JA, et al. Sebetralstat for On-Demand Treatment of Mucosal Hereditary Angioedema Attacks in KONFIDENT-S. Clinical and translational allergy. 2025 Nov;15(11):e70118.
- [2]. Davie RL, et al. Sebetralstat (KVD900): A Potent and Selective Small Molecule Plasma Kallikrein Inhibitor Featuring a Novel P1 Group as a Potential Oral On-Demand Treatment for Hereditary Angioedema. J Med Chem. 2022 Oct 27;65(20):13629-13644.
