FXIa-IN-9
FXIa-IN-9 (compound 3f) is a potent and selective FXIa inhibitor. FXIa-IN-9 can bind with FXIa and form hydrogen bond (human FXIa Ki: 0.17 nM, rabbit FXIa Ki: 0.5 nM). FXIa-IN-9 also has anticoagulant activity, and can be used in the research of thromboembolic diseases such as atrial fibrillation, stroke, myocardial infarction, deep vein thrombosis, and pulmonary embolism.
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- CAS. Nr.: 2816108-87-7
- Formel: C23H18Cl2F3N9O2
- Molecular Weight:580.35
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Speicherung:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biologische Aktivität
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Chemical Information
- Reinheit & Dokumentation
- Verweise
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Help & FAQs
Biologische Aktivität
Beschreibung
IC50 & Target
Ki: 0.17 nM (human FXIa), 0.5 nM (rabbit FXIa)[1].
In Vitro
FXIa-IN-9 has anticoagulant activity, with EC1.5x values of 1.31 μM (human plasma aPTT) and 1.39 μM (rabbit plasma aPTT), respectively[1].
FXIa-IN-9 (10 μM, 5-15 min) is highly selective for FXIa against other human serine protease, except for plasma kallikrein (IC50: 0.023 μM)[1].
FXIa-IN-9 shows the plasma protein binding ranges from 80.8 to 95.6%, and pharmacological profile is as follows[1].
| property/assay | value |
| equilibrium solubility (pH 1.2; pH 6.8) | 81.0 μM; 171.6 μM |
| PPB % (mouse/rat/dog/human) | 91.2/91.6/80.8/95.6 |
| hERG inhibition (IC50) | >10 μM |
| S9 aldehyde oxidase (AO) | T1/2 > 180 min |
| hLM trapping assay | no GSH and CN adducts |
| AMES genotoxicity test | negative |
| in vitro micronucleus test | negative |
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
FXIa-IN-9 (i.v. or p.o., 1-10 mpk ) shows low clearance in rat and dog and moderate clearance in the monkey as well as good oral bioavailability[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Rabbit AV shunt thrombosis model[1]
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Dosage:1.7 mg/kg bolus + 2.0 mg/kg/h infusion, or 8.5 mg/kg bolus + 10 mg/kg/h infusion.
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Administration:Intravenous dosing via the marginal ear vein 20 min prior to and 40 min during the AV shunt
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Result:Showed 36.5% (1.7 mg/kg bolus + 2.0 mg/kg/h infusion) and 62.2% (8.5 mg/kg bolus + 10 mg/kg/h infusion) inhibitions in thrombus weight, respectively.
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Animal Model:Rat, dog, monkey (pharmacokinetic assay)[1]
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Dosage:1 mpk, 2 mpk (i.v.); 5 mpk, 10 mpk (p.o.)
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Administration:Intravenous injection, oral administration.
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Result:Pharmacokinetic profile of FXIa-IN-9 in kinds of species.
animal species clearance (mL/min/kg) T1/2 (h) Vdss (L/kg) F% AUC (iv) (μM•h) AUC (po) (μM•h) Dose iv/po (mpk) rat 10.7 1.4 0.8 36.4 5.5 10.0 2/10 dog 7.9 2.0 1.5 80.5 3.7 14.7 1/5 monkey 25.6 1.0 1.5 43.0 1.1 2.5 1/5
Chemical Information
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CAS. Nr. 2816108-87-7
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Molecular Weight 580.35
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Formel C23H18Cl2F3N9O2
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SMILES
CN1N=NC=C1C2=CN(N=C2)C(CCOC(F)F)C3=CC=C(C=[N+]3[O-])C4=C(C=CC(Cl)=C4F)N5N=NC(Cl)=C5
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Versand
Room temperature in continental US; may vary elsewhere.
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Speicherung
Please store the product under the recommended conditions in the Certificate of Analysis.
Reinheit & Dokumentation
Verweise
Calculators
Konzentration (Stammlösung) × Volumen (Stammlösung) = Konzentration (Ziellösung) × Volumen (Ziellösung)
FXIa-IN-9 Related Classifications
HY-150682 Related Classifications
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