PF-562271 Besylate

别名: PF-00562271 Besylate

目录号：S2672 Purity: 99.32%

PF-562271 Besylate是PF-562271的苯磺酸盐，是一种有效的，ATP竞争性，可逆的FAK抑制剂，IC50为1.5 nM，作用于Pyk2比作用于FAK效果低10倍左右，比作用于其他蛋白激酶（除了一些CDKs）选择性高100倍以上。Phase 1。

PF-562271 Besylate Chemical Structure

CAS: 939791-38-5

规格	价格	库存
5mg	1392.3	现货
10mg	2211.3	现货
50mg	6691.23	现货
200mg	16298.1	现货
1g	31900	现货
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产品质控

批次：纯度： 99.32%

99.32

PF-562271 Besylate相关产品

相关产品	PF-562271 PF-573228 Defactinib (VS-6063) VS-4718 (PND-1186) PF-562271 HCl TAE226 (NVP-TAE226) GSK2256098 PF-431396 Y15	点击展开
相关化合物库	酪氨酸激酶抑制剂分子库 PI3K/Akt 抑制剂库血管生成相关化合物库 HIF-1信号通路化合物库 FDA抗癌药物库	点击展开

细胞实验数据示例

细胞系	实验类型	活性描述	文献信息
human SNU-387 cell	Growth inhibition assay	Inhibition of human SNU-387 cell growth in a cell viability assay, IC50=2.5282 μM	SANGER
human MDA-MB-231 cell	Growth inhibition assay	Inhibition of human MDA-MB-231 cell growth in a cell viability assay, IC50=2.49572 μM	SANGER
human DU-145 cell	Growth inhibition assay	Inhibition of human DU-145 cell growth in a cell viability assay, IC50=2.49118 μM	SANGER
human MFE-296 cell	Growth inhibition assay	Inhibition of human MFE-296 cell growth in a cell viability assay, IC50=2.47792 μM	SANGER
human DU-4475 cell	Growth inhibition assay	Inhibition of human DU-4475 cell growth in a cell viability assay, IC50=2.14759 μM	SANGER
human NCI-H460 cell	Growth inhibition assay	Inhibition of human NCI-H460 cell growth in a cell viability assay, IC50=2.04839 μM	SANGER
human U251 cell	Growth inhibition assay	Inhibition of human U251 cell growth in a cell viability assay, IC50=1.74031 μM	SANGER
human EW-13 cell	Growth inhibition assay	Inhibition of human EW-13 cell growth in a cell viability assay, IC50=1.63466 μM	SANGER
human SW1710 cell	Growth inhibition assay	Inhibition of human SW1710 cell growth in a cell viability assay, IC50=1.62628 μM	SANGER
human MZ1-PC cell	Growth inhibition assay	Inhibition of human MZ1-PC cell growth in a cell viability assay, IC50=1.62312 μM	SANGER
human CGTH-W-1 cell	Growth inhibition assay	Inhibition of human CGTH-W-1 cell growth in a cell viability assay, IC50=1.61679 μM	SANGER
human BC-1 cell	Growth inhibition assay	Inhibition of human BC-1 cell growth in a cell viability assay, IC50=1.61664 μM	SANGER
human HSC-2 cell	Growth inhibition assay	Inhibition of human HSC-2 cell growth in a cell viability assay, IC50=1.5395 μM	SANGER
human ST486 cell	Growth inhibition assay	Inhibition of human ST486 cell growth in a cell viability assay, IC50=1.53278 μM	SANGER
human AGS cell	Growth inhibition assay	Inhibition of human AGS cell growth in a cell viability assay, IC50=1.52124 μM	SANGER
human SIG-M5 cell	Growth inhibition assay	Inhibition of human SIG-M5 cell growth in a cell viability assay, IC50=1.48487 μM	SANGER
human HUTU-80 cell	Growth inhibition assay	Inhibition of human HUTU-80 cell growth in a cell viability assay, IC50=1.44886 μM	SANGER
human SK-UT-1 cell	Growth inhibition assay	Inhibition of human SK-UT-1 cell growth in a cell viability assay, IC50=1.44647 μM	SANGER
human KYSE-150 cell	Growth inhibition assay	Inhibition of human KYSE-150 cell growth in a cell viability assay, IC50=1.35236 μM	SANGER
human CAL-62 cell	Growth inhibition assay	Inhibition of human CAL-62 cell growth in a cell viability assay, IC50=1.31909 μM	SANGER
human MES-SA cell	Growth inhibition assay	Inhibition of human MES-SA cell growth in a cell viability assay, IC50=1.30682 μM	SANGER
human BPH-1 cell	Growth inhibition assay	Inhibition of human BPH-1 cell growth in a cell viability assay, IC50=1.28766 μM	SANGER
human NKM-1 cell	Growth inhibition assay	Inhibition of human NKM-1 cell growth in a cell viability assay, IC50=1.27506 μM	SANGER
human AN3-CA cell	Growth inhibition assay	Inhibition of human AN3-CA cell growth in a cell viability assay, IC50=1.21867 μM	SANGER
human CAL-33 cell	Growth inhibition assay	Inhibition of human CAL-33 cell growth in a cell viability assay, IC50=1.12938 μM	SANGER
NCI-H810 cell	Growth inhibition assay	Inhibition of human NCI-H810 cell growth in a cell viability assay, IC50=1.10776 μM	SANGER
human 8305C cell	Growth inhibition assay	Inhibition of human 8305C cell growth in a cell viability assay, IC50=1.09904 μM	SANGER
human KYSE-270 cell	Growth inhibition assay	Inhibition of human KYSE-270 cell growth in a cell viability assay, IC50=1.04714 μM	SANGER
ALL-PO cell	Growth inhibition assay	Inhibition of human ALL-PO cell growth in a cell viability assay, IC50=1.01584 μM	SANGER
human BCPAP cell	Growth inhibition assay	Inhibition of human BCPAP cell growth in a cell viability assay, IC50=1.01288 μM	SANGER
human RT-112 cell	Growth inhibition assay	Inhibition of human RT-112 cell growth in a cell viability assay, IC50=0.9846 μM	SANGER
human NCI-H650 cell	Growth inhibition assay	Inhibition of human NCI-H650 cell growth in a cell viability assay, IC50=0.83154 μM	SANGER
human IGROV-1 cell	Growth inhibition assay	Inhibition of human IGROV-1 cell growth in a cell viability assay, IC50=0.81038 μM	SANGER
human MG-63 cell	Growth inhibition assay	Inhibition of human MG-63 cell growth in a cell viability assay, IC50=0.80637 μM	SANGER
human COLO-829 cell	Growth inhibition assay	Inhibition of human COLO-829 cell growth in a cell viability assay, IC50=0.76176 μM	SANGER
human COLO-205 cell	Growth inhibition assay	Inhibition of human COLO-205 cell growth in a cell viability assay, IC50=0.48658 μM	SANGER
human KM12 cell	Growth inhibition assay	Inhibition of human KM12 cell growth in a cell viability assay, IC50=0.38557 μM	SANGER
human SW982 cell	Growth inhibition assay	Inhibition of human SW982 cell growth in a cell viability assay, IC50=0.3282 μM	SANGER
MV-4-11 cell	Growth inhibition assay	Inhibition of human MV-4-11 cell growth in a cell viability assay, IC50=0.2766 μM	SANGER
点击查看更多细胞系数据

生物活性

产品描述

靶点

FAK ^[1] (Cell-free assay)	PYK2 ^[1] (Cell-free assay)	CDK2/CyclinE ^[1] (Cell-free assay)	CDK3/CyclinE ^[1] (Cell-free assay)	CDK1/CyclinB ^[1] (Cell-free assay)	点击更多
1.5 nM	13 nM	30 nM	47 nM	58 nM	点击更多

体外研究(In Vitro)
体外研究活性	在重组酶实验中, PF-562271 Besylate选择性抑制FAK 和 Pyk2 酪氨酸激酶活性，IC50分别为1.5 nM 和14 nM。在细胞实验中，PF-562271 作用于FAK的IC50值为5 nM，比作用于其他激酶靶点选择性更高。^[1] 在二维培养中，PF-562271 抑制FAK WT,FAK−/− 和FAK 激酶缺乏(KD)的细胞增殖，IC50分别为3.3 μM, 2.08 μM 和 2.01 μM。^[2]
激酶实验	重组激酶实验和酶动力学
激酶实验	纯化激活的FAK激酶域 (第 410–689位氨基酸)与 50 μM ATP ，和每孔 10 μg Glu 和 Tyr, p(Glu/Tyr)随机肽聚合物,在激酶buffer [50 mM HEPES (pH 7.5), 125 mM NaCl, 和 48 mM MgCl₂] 中反应15分钟。使用从1 μM连续稀释的PF-562271 进行p(Glu/Tyr)磷酸化。实验中每种实验浓度重复三次。使用通用抗磷酸酪氨酸 (PY20) 抗体和随后的辣根过氧化物酶（HRP）标记的羊抗鼠IgG抗体检测p(Glu/Tyr) 的磷酸化。加入HRP 底物，加入终止液(2 M H₂SO₄)，在450 nm处测定吸光值。使用Hill-Slope 模型测定IC50值。使用KinaseProfiler 选择性筛选服务系统通过UpState生物技术进行广谱激酶选择谱研究。
细胞实验	细胞系	鳞状细胞癌(SCC)
	浓度	0 到1 μM
	孵育时间	72小时
	方法	细胞接种48小时后，加入PF-562271。加入冰冻25% 三氯乙酸 (TCA) 溶液，混合细胞，3天后，使用 Sulforhodamine B(SRB) 染料染色。使用1% 冰醋酸冲洗实验板，烘干，然后再悬浮在10 mM Tris buffer, pH 10.5中，然后在 540 nm处测定吸光值。拟合曲线，使用GraphPad Prism 4 软件从6次重复测定中获得IC50值。

体内研究(In Vivo)
体内研究活性	PF-562271 Besylate作用于一些人类皮下移植瘤模型，抑制肿瘤生长，这种作用存在剂量依赖性，且产生最大肿瘤抑制效果，按25 到 50 mg/kg剂量作用于PC-3M, BT474, BxPc3, 和LoVo细胞，每天两次，抑制达78%到94%，没有发生体重降低，生病或死亡。^[1]PF-562271 按25 mg/kg剂量口服处理皮下和骨转移PC3M-LUC-5233移植瘤模型，显著降低肿瘤进展。^[3]
动物实验	Animal Models	PC-3M, BT474, BxPc3, LoVo, U87MG, H125 和H460细胞皮下注射到无胸腺雌性小鼠右侧
	Dosages	≤100 mg/kg
	Administration	口服处理

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
临床试验信息 (data from https://clinicaltrials.gov, updated on 2024-05-22)
NCT00666926	Completed	Head and Neck Neoplasm\|Prostatic Neoplasm\|Pancreatic Neoplasm	Verastem Inc.	December 2005	Phase 1

参考文献
[1] Roberts WG, et al. Cancer Res. 2008, 68(6), 1935-1944. [2] Serrels A, et al. Int J Cancer. 2012, 131(2), 287-297. [3] Sun H, et al. Cancer Biol Ther. 2010, 10(1), 38-43. [4] Bagi CM, et al. Cancer Biol Ther. 2009, 8(9), 856-865. + 展开

参考文献

[4] Bagi CM, et al. Cancer Biol Ther. 2009, 8(9), 856-865.

+ 展开

化学信息&溶解度

分子量	665.66	分子式	C₂₁H₂₀F₃N₇O₃S.C₆H₆O₃S
CAS号	939791-38-5	SDF	Download PF-562271 Besylate SDF
Smiles	CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C.C1=CC=C(C=C1)S(=O)(=O)O
储存条件(自收到货起)	3年-20°C粉状	储备液保存和期限建议分装储备液，避免反复冻融！	1年-80°C溶于溶剂
储存条件(自收到货起)	3年-20°C粉状	储备液保存和期限建议分装储备液，避免反复冻融！	1个月-20°C溶于溶剂

体外溶解度
批次：

4-Methylpyridine : 25 mg/mL (37.55 mM)

DMSO : 0.4 mg/mL ( (0.6 mM) ；DMSO吸湿会降低化合物溶解度，请使用新开封DMSO)

Water : Insoluble

DMSO : 100 mg/mL ( (150.22 mM) ；DMSO吸湿会降低化合物溶解度，请使用新开封DMSO)

Water : Insoluble

Ethanol : Insoluble

摩尔浓度计算器

体内溶解度
批次：

现配现用，请按从左到右的顺序依次添加，澄清后再加入下一溶剂

动物体内配方计算器

实验计算

摩尔浓度计算器

质量	浓度	体积	分子量
=	×	×

稀释计算器分子量计算器

动物体内配方计算器（澄清溶液）

第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量）

给药剂量 mg/kg 动物平均体重 g 每只动物给药体积 μL 动物数量只

第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系Selleck为您提供正确的澄清溶液配方）

% DMSO + % + % Tween 80 + % ddH2O

%DMSO+ %

计算结果：

工作液浓度： mg/ml；

DMSO母液配制方法： mg 药物溶于μL DMSO溶液（母液浓度mg/mL，注：如该浓度超过该批次药物DMSO溶解度，请先联系Selleck）；

体内配方配制方法：取μL DMSO母液，加入μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入μL ddH₂O，混匀澄清。

体内配方配制方法：取μL DMSO母液，加入μL Corn oil，混匀澄清。

注意：1. 首先保证母液是澄清的；
2.一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。

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操作手册

如果有其他问题，请给我们留言。

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常见问题及建议解决方法

问题 1:
We are planning both in vitro and in vivo experiments and want to know how to reconstitute the drug for these purposes?

回答：
PF-00562271 has poor solubility in DMSO and water. Its solubility in DMSO is only 0.4mg/ml. In a previous literature report (http://www.ncbi.nlm.nih.gov/pubmed/18339875), the author used 5% Gelucire to formulate the compound. You can also consider other co-solvents such as PEG400, CMC, Tween80, and Captisol.

问题 2:
Can you provide with a few common vehicles for PF-00562271, S2672 for use as oral gavage?

回答：
S2672 PF-00562271 can be dissolved in 0.5% CMC Na at 30 mg/ml as a suspension. If 4% DMSO can be used in your experiment, it will help dissolving the suspension more homogeneously.

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):