CAS NO: | 225120-65-0 |
规格: | ≥98% |
包装 | 价格(元) |
5mg | 电议 |
10mg | 电议 |
25mg | 电议 |
50mg | 电议 |
100mg | 电议 |
250mg | 电议 |
Molecular Weight (MW) | 401.89 |
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Formula | C20H24ClN5O2 |
CAS No. | 225120-65-0 |
Storage | -20℃ for 3 years in powder form |
-80℃ for 2 years in solvent | |
Solubility (In vitro) | DMSO: 80 mg/mL (199.1 mM) |
Water:<1 mg/mL | |
Ethanol: 50 mg/mL (124.4 mM) | |
Other info | Chemical Name: (S)-3-(tert-butyl)-N-(3-(3-chlorophenyl)-1-((cyanomethyl)amino)-1-oxopropan-2-yl)-1-methyl-1H-pyrazole-5-carboxamide InChi Key: MZRVIHRERYCHBL-HNNXBMFYSA-N InChi Code: InChI=1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1 SMILES Code: ClC1=CC=CC(C[C@@H](C(NCC#N)=O)NC(C2=CC(C(C)(C)C)=NN2C)=O)=C1 |
Synonyms | Cathepsin-Inhibitor-1; CTS-IN-1; Cathepsin Inhibitor 1; CTS IN 1 |
In Vitro | In vitro activity: The CatL pIC50 value of Cathepsin Inhibitor 1 was found to exceed that of its analog by 1.6 units. Moreover, CatS (ΔpIC50 = -0.1) and CatL2 (ΔpIC50 = 0.5) were much less sensitive to the structural change of Cathepsin Inhibitor 1, leading to an improved selectivity profile relative to its analog. Cathepsin Inhibitor 1 was as least as selective with respect to CatB and CatS as previously described CatL inhibitors. The crystal structure of its another analog bound to CatL provided the rationale for the SAR observed for Cathepsin Inhibitor 1. The 1-methyl group of the pyrazole made some contact with Leu69 and appeared to force the pyrazole ring out of co-planarity with the amide, likely functioning as a conformational lock. |
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In Vivo | |
Animal model | |
Formulation & Dosage | |
References | Bioorg Med Chem Lett. 2009 Aug 1;19(15):4280-3. |