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L-873724

    级别和纯度:
  • ≥98%
  • CAS编号: 603139-12-4
  • 分子式: C23H26F3N3O3S
  • 分子量: 481.53
  • PubChem编号: 9913088
有货

库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
L647054-1mg
1mg 期货 Stock Image

基本描述

英文别名 (+)-L-873724 | MS-28951 | 29250PP3ON | AKOS040742150 | (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfon | L873724 | L-873724 | UNII-29250PP3ON | GTPL7860 | HY-50887 | Pentanamide, N-(cyanomethyl)-4-methyl-2-(((1S)-2,2,2-trifluor
规格或纯度 ≥98%
英文名称 L-873724
生化机理 L-873724 是一种强效、口服生物可利用性、选择性和还原性的 cathepsin K 抑制剂,对 cathepsin K、chepsin S、chepsin L 和 cathepsin B 的 IC 50 s 分别为 0.2、178、264 和 5239 nM。此外,L-873724 还显示出对胰蛋白酶 K、胰蛋白酶 S、胰蛋白酶 L 和胰蛋白酶 B
储存温度 2-8°C储存,避光,干燥
运输条件 冰袋运输
产品介绍


L-873724 is a potent, orally bioavailable, selective and reversible non-basic cathepsin K inhibitor , with IC 50 s of 0.2, 178, 264, and 5239 nM for cathepsin K , cathepsin S , cathepsin L , cathepsin B , respectively L-873724 also exhibits an IC 50 of 0.5 nM for rabbit cathepsin K . L-873724 inhibits bone resorption .

In Vitro

L-873724 (Compound 22) is a potent and selective non-basic cathepsin K inhibitor, with IC 50 s of 0.2, 178, 264, and 5239 nM for cathepsin K, cathepsin S, cathepsin L, cathepsin B, respectively. L-873724 also shows IC 50 s of 95, 1221 and 4807 nM for Ramos cathepsin S, Hep G2 cathepsin L, Hep G2 cathepsin B. L-873724 exhibits an IC 50 of 0.5 nM for rabbit cathepsin K. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

L-873724 is orally bioavailable, non-lysosomotropic, and efficacious in the rhesus monkey bone resorption model . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 0.2 nM (Cathepsin K), 178 nM (Cathepsin S), 264 nM (Cathepsin B), 5239 nM (Cathepsin B), 0.5 nM (Rabbit cathepsin K)

纯度 ≥98%

关联靶点(人)

CTSL Tclin 组织蛋白酶L1(Cathepsin L1) (3 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
CTSS Tchem 组织蛋白酶S(Cathepsin S) (5 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
CTSK Tchem 组织蛋白酶K(Cathepsin K) (7 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
CTSB Tchem Cathepsin B (3822 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CTSK Tchem Cathepsin K (3011 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CTSS Tchem Cathepsin S (3285 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

关联靶点(其它种属)

CTSL Cathepsin L (58 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Canis familiaris (36305 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Rhesus monkey (3147 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Ctsl Cathepsin L1 (28 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

分子类型 小分子
IIUPAC Name (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
INCHI 1S/C23H26F3N3O3S/c1-15(2)14-20(22(30)28-13-12-27)29-21(23(24,25)26)18-6-4-16(5-7-18)17-8-10-19(11-9-17)33(3,31)32/h4-11,15,20-21,29H,13-14H2,1-3H3,(H,28,30)/t20-,21-/m0/s1
InChi Key VYFDSJLOCIGIKP-SFTDATJTSA-N
Smiles CC(C)CC(C(=O)NCC#N)NC(C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F
Isomeric SMILES CC(C)C[C@@H](C(=O)NCC#N)N[C@@H](C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F
关联CAS 603139-12-4
PubChem CID 9913088
MeSH Entry Terms L-873724
分子量 481.53

化学和物理性质

溶解性 DMSO : 100 mg/mL (207.67 mM; Need ultrasonic)
分子量 481.500 g/mol
XLogP3 4.200
氢键供体数Hydrogen Bond Donor Count 2
氢键受体数Hydrogen Bond Acceptor Count 8
可旋转键计数Rotatable Bond Count 9
精确质量Exact Mass 481.165 Da
单同位素质量Monoisotopic Mass 481.165 Da
拓扑极表面积Topological Polar Surface Area 107.000 Ų
重原子数Heavy Atom Count 33
形式电荷Formal Charge 0
复杂度Complexity 785.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 2
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 1

安全和危险性(GHS)

质检证书(CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:

溶液计算器