Odanacatib

Odanacatib is a potent, selective, and neutral inhibitor of cathepsin K (human/rabbit) with IC50 of 0.2 nM/1 nM, and demonstrated high selectivity versus off-target cathepsin B, L, S. Phase 3.

CAS No. 603139-19-1

サイズ	価格(税別)	在庫状況
5mg	JPY 40500	国内在庫あり
100mg	JPY 250500	国内在庫なし(納期7~10日)

代表番号: 045-509-1970\|電子メール：[email protected] よく尋ねられる質問

文献中Selleckの製品使用例（21）

カスタマーフィードバック1个实验数据

製品安全説明書

現在のバッチを見る：純度： 99.9%

99.9

Odanacatib関連製品

関連ターゲット	Cathepsin Calpain Cruzain Papainb Cathepsin	もっと見る
関連製品	Aloxistatin (E64d) Calpeptin MG-101 (ALLN) E-64 Z-FA-FMK NEM (N-Ethylmaleimide) Cathepsin Inhibitor 1 PD 151746 Loxistatin Acid (E-64C)	もっと見る
関連化合物ライブラリー	FDA-approved Drug Library Natural Product Library Bioactive Compound Library-I Protease Inhibitor Library Ubiquitination Compound Library	もっと見る

Cysteine Protease阻害剤の選択性比較

Cell Data

Cell Lines	Assay Type	Incubation Time	活性情報	PMID
stem cells	Function assay	7 days	Inhibition of osteoclastogenesis in human bone marrow-derived stem cells assessed as reduction of pit formation by measuring TRACP5b activity after 7 days by bone TRAP assay, IC50=0.1μM	22984809
ramos cells	Function assay		Inhibition of cathepsin S in human ramos cells, IC50=0.045μM	18226527
HepG2	Function assay		Inhibition of cathepsin B in human HepG2 cells, IC50=1.05μM	18226527
B cells	Function assay		Inhibition of antigen presenting mouse B cells, IC50=1.5μM	18226527
HepG2	Function assay		Inhibition of cathepsin L in human HepG2 cells, IC50=4.843μM	18226527
SJ-GBM2	qHTS assay		qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	29435139
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生物活性

製品説明

Odanacatib is a potent, selective, and neutral inhibitor of cathepsin K (human/rabbit) with IC50 of 0.2 nM/1 nM, and demonstrated high selectivity versus off-target cathepsin B, L, S. Phase 3.

特性

A potent, selective, and neutral cathepsin K inhibitor.

Targets

Cathepsin K (human) ^[1]	Cathepsin K (rabbit) ^[1]
0.2 nM	1 nM

In Vitro
In vitro	In vitro, Odanacatib shows the high inhibitory activity and selectivity on cathepsin K with IC50 values of 0.2 nM and 1 nM for human cathepsin K and rabbit cathepsin K, respectively. Furthermore, Odanacatib also shows similar potencies in whole human cell enzyme occupancy assays with corrected IC50 of 5 nM. ^[1] A recent study shows that Odanacatib results in reduction of Osteoclast (OC) resorption activity by interrupting intracellular vesicular trafficking. ^[2]

In Vivo
In Vivo	In preclinical rats, Odanacatib (10 mg/kg) exhibits excellent pharmacokinetics with clearance (Cl: 2 mL kg^-1 min^-1), low volume of distribution (V_dss: 1.1 L kg^-1), half-life (T_1/2: 6 hours) and oral bioavailability (F: 8%), respectively. Besides, Odanacatib also exhibits excellent metabolic stability in rat hepatocytes with a 96% recovery of the parent identity. ^[1] Odanacatib (ODN) administrated by p.o. prevents bone loss in ovariectomized (OVX) rabbits in a dose-related manner. Moreover, Odanacatib (9 µM/day) leads to a significant increase in proximal femur bone mineral density (BMD) (7.8%), femoral neck BMD (10.8%) and the greater trochanter BMD (6.5%). ^[3] In the estrogen-deficient, skeletally mature rhesus monkeys, long-term treatment with Odanacatib effectively inhibits bone turnover without reducing osteoclast number and maintains normal biomechanical properties of the spine of OVX nonhuman primates. ^[4]
動物実験	動物モデル	Ovariectomized (OVX) rabbit model
	投与量	≤9 µM/day
	投与経路	Administered via p.o.

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
臨床試験 (data from https://clinicaltrials.gov, updated on 2024-01-11)
NCT01803607	Terminated	Osteoporosis	Merck Sharp & Dohme LLC	March 14 2013	Phase 3
NCT01630616	Terminated	Osteoporosis	Merck Sharp & Dohme LLC	March 12 2013	Phase 1
NCT01512693	Completed	Hepatic Insufficiency	Merck Sharp & Dohme LLC	February 23 2012	Phase 1
NCT01512667	Completed	Renal Insufficiency	Merck Sharp & Dohme LLC	January 17 2012	Phase 1
NCT01068262	Completed	Osteoporosis	Merck Sharp & Dohme LLC	December 8 2009	Phase 1
NCT00691899	Withdrawn	Prostate Cancer	Merck Sharp & Dohme LLC	September 2008	Phase 3

参考
[1] Gauthier JY, et al. Bioorg Med Chem Lett. 2008, 18(3), 923-928. [2] Leung P, et al. Bone. 2011, 49(4), 623-635. [3] Pennypacker BL, et al. J Bone Miner Res. 2011, 26(2):252-262. [4] Masarachia PJ, et al. J Bone Miner Res. 2012, 27(3), 509-523. + 展開

参考

[4] Masarachia PJ, et al. J Bone Miner Res. 2012, 27(3), 509-523.

+ 展開

化学情報

分子量	525.56	化学式	C₂₅H₂₇F₄N₃O₃S
CAS No.	603139-19-1	SDF	Download Odanacatib SDFをダウンロードする
Smiles	CC(C)(CC(C(=O)NC1(CC1)C#N)NC(C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F
保管	3年-20°C粉	溶液の保管冷凍と解凍の繰り返しを避けるため小分けにしてください	1年-80°Cin solvent
保管	3年-20°C粉	溶液の保管冷凍と解凍の繰り返しを避けるため小分けにしてください	1个月-20°Cin solvent

In vitro
Batch:

DMSO : 105 mg/mL ( (199.78 mM)；吸湿したDMSOは溶解度を減少させます。新しいDMSOをご使用ください。)

Ethanol : 3 mg/mL

Water : Insoluble

モル濃度計算器

in vivo Batch: Add solvents to the product individually and in order.					投与溶液組成計算機
	Clear solution	5%DMSO 1 40%PEG300 2 5%Tween80 3 50%ddH2O	0.8mg/ml	Taking the 1 mL working solution as an example, add 50 μL of 16 mg/ml clarified DMSO stock solution to 400 μL of PEG300, mix evenly to clarify it; add 50 μL of Tween80 to the above system, mix evenly to clarify; then continue to add 500 μL of ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.	投与溶液組成計算機
Clear solution	4%DMSO 1 Corn oil	5.0mg/ml	Taking the 1 mL working solution as an example, add 40 μL of 125 mg/ml clear DMSO stock solution to 960 μL of corn oil and mix evenly. The mixed solution should be used immediately for optimal results.
Clear solution	5% DMSO 1 95% Corn oil	1.0mg/ml	Taking the 1 mL working solution as an example, add 50 μL of 20 mg/ml clear DMSO stock solution to 950 μL of corn oil and mix evenly. The mixed solution should be used immediately for optimal results.

実験計算

モル濃度計算器

質量	濃度	体積	分子量
=	×	×

希釈計算器分子量計算器

投与溶液組成計算機(クリア溶液)

ステップ１：実験データを入力してください。（実験操作によるロスを考慮し、動物数を1匹分多くして計算・調製することを推奨します）

投与量 mg/kg 動物平均体重 g 投与体積（動物毎）μL 動物数匹

ステップ２：投与溶媒の組成を入力してください。（ロット毎に適した溶解組成が異なる場合があります。詳細については弊社までお問い合わせください）

% DMSO + % + % Tween 80 + % ddH₂O

%DMSO+ %

計算結果：

投与溶媒濃度： mg/ml;

DMSOストック溶液調製方法： mg 試薬を μL DMSOに溶解する（濃度 mg/mL, 注：濃度が当該ロットのDMSO溶解度を超える場合はご連絡ください。 )

投与溶媒調製方法：Take μL DMSOストック溶液に μL PEG300，を加え、完全溶解後μL Tween 80，を加えて完全溶解させた後 μL ddH₂O，を加え完全に溶解させます。

投与溶媒調製方法：μL DMSOストック溶液に μL Corn oil，を加え、完全溶解。

注意：１.ストック溶液に沈殿、混濁などがないことをご確認ください；
２.順番通りに溶剤を加えてください。次のステップに進む前に溶液に沈殿、混濁などがないことを確認してから加えてください。ボルテックス、ソニケーション、水浴加熱など物理的な方法で溶解を早めることは可能です。

C1=C0/X	C1:	LOG(C1):
C2=C1/X	C2:	LOG(C2):
C3=C2/X	C3:	LOG(C3):
C4=C3/X	C4:	LOG(C4):
C5=C4/X	C5:	LOG(C5):
C6=C5/X	C6:	LOG(C6):
C7=C6/X	C7:	LOG(C7):
C8=C7/X	C8:	LOG(C8):