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Cathepsin Inhibitor 1
本产品不向个人销售,仅用作科学研究,不用于任何人体实验及非科研性质的动物实验。
Cathepsin Inhibitor 1图片
CAS NO:225120-65-0
规格:≥98%
包装与价格:
包装价格(元)
5mg电议
10mg电议
25mg电议
50mg电议
100mg电议
250mg电议

产品介绍
Cathepsin Inhibitor 1 (CTS-IN-1) is a novel and potent inhibitor of Cathepsin (L, L2, S, K, B) with the potential to be used in the treatment of osteoarthritis. It inhibits Cathepsin (L, L2, S, K, B) with pIC50 values of 7.9, 6.7, 6.0, 5.5 and 5.2, respectively. Osteoarthritis is currently recognized as a chronic degenerative disease, which is caused by the loss of articular cartilage and damage to underlying bone, resulting in joint instability and pain. The lysosomal cysteine protease2 Cathepsin L (CatL) is found to be a potential target for intervention in treatment of osteoarthritis. After secreted into the extracellular matrix, CatL can degrade proteoglycans such as aggrecan4 and type II collagen, which are the major components of articular cartilage.
理化性质和储存条件
Molecular Weight (MW)401.89
FormulaC20H24ClN5O2
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

实验参考方法
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.

In Vivo
Animal model
Formulation & Dosage
References

Bioorg Med Chem Lett. 2009 Aug 1;19(15):4280-3.