LDE225 Diphosphate

目录号: GC14169纯度: >99.50%同义词: LDE 225 Diphosphate;NVP-LDE 225 Diphosphate;Erismodegib Diphosphate;LDE-225 Diphosphate
A Smo antagonist

LDE225 Diphosphate
Cas No.: 1218778-77-8
规格价格库存数量操作
5mg¥347.00现货
1
10mg¥515.00现货
1
50mg¥1,040.00现货
1
100mg¥1,806.00现货
1
500mg¥6,300.00现货
1
1g¥10,080.00现货
1
10mM (in 1mL DMSO)¥546.00现货
1

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产品描述 Description

IC50: 1.3 and 2.5 nM for Mouse and Human Smo

LDE225 is a potent and selective smoothened antagonist. Smoothened (Smo) is a 7-pass transmembrane protein functioning as the key activator of the hedgehog (Hh) signaling pathway. Hh signaling is tightly controlled during cellular differentiation, proliferation, and embryonic morphogenesis. Hh signaling has been linked to tumorigenesis in several cancers.

In vitro: LDE225 was found to selectively bind to the Hedgehog (Hh)-ligand cell surface receptor Smo, which might result in the suppression of the Hh signaling pathway and, therefore, the inhibition of tumor cells in which this pathway was abnormally activated [1].

In vivo: In the subcutaneous medulloblastoma allograft mouse model, LDE225 demonstrated dose-related antitumor activity after 10 days of oral administration of a suspension. At a dose of 5 mg/kg/ day qd, LDE225 inhibited tumor growth significantly, corresponding to a T/C value of 33%. When dosed at 10 and 20 mg/kg/day qd, LDE225 afforded 51 and 83% regression, respectively [1].

Clinical trial: In a phase I study, it was found that LDE225 had an acceptable safety profile in patients with advanced solid tumors and exhibited antitumor activity in advanced BCC and relapsed medulloblastoma, both of which were associated with hedgehog pathway strongly, as shown by gene expression [2].

References:
[1] Shifeng Pan,Xu Wu,Jiqing Jiang et al.  Discovery of NVP-LDE225, a Potent and Selective Smoothened Antagonist. ACS Med Chem Lett. 2010 Jun 10; 1(3): 130–134.
[2] Rodon J,Tawbi HA,Thomas AL,Stoller RG,Turtschi CP,Baselga J,Sarantopoulos J,Mahalingam D,Shou Y,Moles MA,Yang L,Granvil C,Hurh E,Rose KL,Amakye DD,Dummer R,Mita AC.  A phase I, multicenter, open-label, first-in-human, dose-escalation study of the oral smoothened inhibitor Sonidegib (LDE225) in patients with advanced solid tumors. Clin Cancer Res.2014 Apr 1;20(7):1900-9.

实验参考方法 Experimental Reference Method

Cell experiment [1]:

Cell lines

primary CD34+ CP-CML cells

Preparation method

The solubility of this compound in DMSO is > 27.85 mg/mL. General tips for obtaining a higher concentration: Please warm the tube at 37 ℃ for 10 minutes and/or shake it in the ultrasonic bath for a while. Stock solution can be stored below -20℃ for several months.

Reacting condition

10 nM, 100 nM, 72 hours

Applications

LDE225 (10 nM, 100 nM, 72 hours) inhibited downstream Hh signaling in primary CD34+ CP-CML cells. LDE225 (0.5-100 nM, 72h) significantly reduced colony forming cell (CFC) re-plating efficiency of primitive human CP-CML cells. LDE225 (10 nM) alone or in combination with nilotinib (5 μM) significantly reduced LTC-IC numbers in primary CD34+ CP-CML samples.

Animal experiment [1]:

Animal models

CP-CML murine model, BCR-ABL expressing mice

Dosage form

80 mg/kg by gavage, daily

Application

Treatment of Scl-tTa-BCR-ABL mice with LDE225+nilotinib resulted in inhibition of Gli1 in CP-CML BM LTHSC. LDE225 in combination with nilotinib on human CML LSC was capable of engrafting immunodeficient mice. LDE225+nilotinib administration significantly reduced leukaemia stem and progenitor cells in the spleen of BCR-ABL expressing mice.

Other notes

Please test the solubility of all compounds indoor, and the actual solubility may slightly differ with the theoretical value. This is caused by an experimental system error and it is normal.

References:

[1]. Irvine D A, Zhang B, Kinstrie R, et al. Deregulated hedgehog pathway signaling is inhibited by the smoothened antagonist LDE225 (Sonidegib) in chronic phase chronic myeloid leukaemia[J]. Scientific reports, 2016, 6: 25476.

产品文档 Product Documents

Purity:>99.50%

化学性质Chemical Properties

CAS 号
1218778-77-8
同义词
LDE 225 Diphosphate;NVP-LDE 225 Diphosphate;Erismodegib Diphosphate;LDE-225 Diphosphate
化学名
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;phosphoric acid
SMILES
CC1CN(CC(O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F.OP(=O)(O)O.OP(=O)(O)O
分子式
C26H32F3N3O11P2
分子量
681.49 g/mol
溶解性
≥ 27.85 mg/mL in DMSO
保存条件
Store at -20°C
General tips
请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液;一旦配成溶液,请分装保存,避免反复冻融造成的产品失效。
储备液的保存方式和期限:-80°C 储存时,请在 6 个月内使用,-20°C 储存时,请在 1 个月内使用。
为了提高溶解度,请将管子加热至 37°C,然后在超声波浴中震荡一段时间。
Shipping Condition
评估样品解决方案:配备蓝冰进行发货。所有其他可用尺寸:配备 RT,或根据请求配备蓝冰。

计算工具摩尔浓度 / 稀释 / 分子量 / 单位换算 / 体内配方 / 溶解度

g/mol