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.
For research use only. We do not sell to patients.
- CAS No.: 2816108-87-7
- Formula: C23H18Cl2F3N9O2
- Molecular Weight:580.35
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Storage:
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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Biological Activity
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Chemical Information
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Ki: 0.17 nM (human FXIa), 0.5 nM (rabbit FXIa)[1].
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.
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 No. 2816108-87-7
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Molecular Weight 580.35
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Formula 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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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.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
FXIa-IN-9 Related Classifications
HY-150682 Related Classifications
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