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Benzamidine hydrochloride hydrate

Cat. No. M42606
Benzamidine hydrochloride hydrate Structure
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Quality Control & Documentation
Biological Activity

Benzamidine hydrochloride hydrate is a reversible competitive trypsin-like serine proteases inhibitor with Kis of 20, 21, 97, 110, 320 and 750 μM against Tryptase, Trypsin, uPA, Factor Xa, Thrombin and tPA, respectively.

Chemical Information
Formula C7H8N2.ClH.xH2O
CAS Number 206752-36-5
Form Solid
Storage Powder          -20°C   3 years ;  4°C   2 years
In solvent       -80°C   6 months ;  -20°C   1 month
Conversion of different model animals based on BSA (PMID: 27057123)
Species Mouse Rat Rabbit Guinea pig Hamster Dog
Weight (kg) 0.02 0.15 1.8 0.4 0.08 10
Body Surface Area (m2) 0.007 0.025 0.15 0.05 0.02 0.5
Km factor 3 6 12 8 5 20
Animal A (mg/kg) = Animal B (mg/kg) multiplied by  Animal B Km
Animal A Km

For example, to modify the dose of Compound A used for a mouse (20 mg/kg) to a dose based on the BSA for a rat, multiply 20 mg/kg by the Km factor for a mouse and then divide by the Km factor for a rat. This calculation results in a rat equivalent dose for Compound A of 10 mg/kg.

References

[1] Steffen Wolf et al. Nat Commun. Multisecond ligand dissociation dynamics from atomistic simulations

[2] Johannes Schiebel et al. Nat Commun. Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes

[3] Mengxia Cheng et al. J Sep Sci. Trypsin inhibitor screening in traditional Chinese medicine by using an immobilized enzyme microreactor in capillary and molecular docking study

[4] Wenao Min et al. Anal Biochem. Capillary electrophoresis applied to screening of trypsin inhibitors using microreactor with trypsin immobilized by glutaraldehyde

[5] Cristiano Ruch Werneck Guimarães et al. J Med Chem. Thrombin inhibition by novel benzamidine derivatives: a free-energy perturbation study

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