OSU-T315 analog, 整合素连接激酶抑制剂

COA

级别和纯度:

Moligand™

≥98%

CAS编号: 1333146-24-9
分子式: C₃₀H₃₀F₃N₅O
分子量: 533.59
PubChem编号: 51051074

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货号 (SKU)	包装规格	是否现货
O412290-1mg	1mg	现货
O412290-5mg	5mg	现货
O412290-10mg	10mg	现货
O412290-25mg	25mg	现货

查看相关系列

Apoptosis (7108) Autophagy (2848) Cytoskeleton (497) Integrin (91) integrin linked kinase Inhibitor (2) Intrinsic Pathway (1438) 脂质代谢 (4331)

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基本描述

别名	OSU-T315 模拟
英文别名	ILK-IN-1
规格或纯度	Moligand™, ≥98%
英文名称	OSU-T315 analog
生化机理	OSU-T315 类似物（ILK-IN-1）是一种 Integrin 链接激酶（ILK）抑制剂，其 IC50 值为 0.6 μM，可通过使 AKT-Ser473 和其他 ILK 靶点（GSK-3β 和肌球蛋白轻链）去磷酸化来抑制 PI3K/AKT 信号传导。OSU-T315 可通过细胞凋亡和自噬导致细胞死亡。
储存温度	-20°C储存
运输条件	超低温冰袋运输
作用类型	抑制剂
作用机制	整合素连接激酶抑制剂
产品介绍	Information OSU-T315 analog (ILK-IN-1) is an inhibitor of Integrin-linked kinase (ILK) with IC50 of 0.6 μM which inhibits PI3K/AKT signaling by dephosphorylation of AKT-Ser473 and other ILK targets (GSK-3β and myosin light chain). OSU-T315 causes cell death through apoptosis and autophagy.
纯度	≥98%

关联靶点（人）

ILK Tchem 整合素连接蛋白激酶(Integrin-linked protein kinase) (1 活性数据)

点击查看靶蛋白信息： ILK

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 活性数据)

点击查看靶蛋白信息： ABL1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 活性数据)

点击查看靶蛋白信息： EGFR

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

KIT Tclin Stem cell growth factor receptor (10667 活性数据)

点击查看靶蛋白信息： KIT

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 活性数据)

点击查看靶蛋白信息： GSK3B

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

SRC Tclin Tyrosine-protein kinase SRC (10310 活性数据)

点击查看靶蛋白信息： SRC

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

PDPK1 Tchem 3-phosphoinositide dependent protein kinase-1 (3758 活性数据)

点击查看靶蛋白信息： PDPK1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

IKBKB Tchem Inhibitor of nuclear factor kappa B kinase beta subunit (5554 活性数据)

点击查看靶蛋白信息： IKBKB

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 活性数据)

点击查看靶蛋白信息： JAK3

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

RPS6KA1 Tchem Ribosomal protein S6 kinase alpha 1 (2796 活性数据)

点击查看靶蛋白信息： RPS6KA1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

JAK2 Tclin Tyrosine-protein kinase JAK2 (12915 活性数据)

点击查看靶蛋白信息： JAK2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

PTK2 Tclin Focal adhesion kinase 1 (4730 活性数据)

点击查看靶蛋白信息： PTK2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

MTOR Tclin Serine/threonine-protein kinase mTOR (13850 活性数据)

点击查看靶蛋白信息： MTOR

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

MET Tclin Hepatocyte growth factor receptor (10718 活性数据)

点击查看靶蛋白信息： MET

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

PRKCA Tchem Protein kinase C alpha (5923 活性数据)

点击查看靶蛋白信息： PRKCA

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

ZAP70 Tchem Tyrosine-protein kinase ZAP-70 (2189 活性数据)

点击查看靶蛋白信息： ZAP70

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

AKT1 Tchem Serine/threonine-protein kinase AKT (9192 活性数据)

点击查看靶蛋白信息： AKT1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 活性数据)

点击查看靶蛋白信息： FLT3

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

PDK1 Tchem Pyruvate dehydrogenase kinase isoform 1 (2021 活性数据)

点击查看靶蛋白信息： PDK1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

RPS6KB1 Tchem Ribosomal protein S6 kinase 1 (4456 活性数据)

点击查看靶蛋白信息： RPS6KB1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

MCF7 (126967 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

MDA-MB-468 (9477 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

PC-3 (62116 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

PrEC (20 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

SK-BR-3 (5175 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

HMEC (560 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

LNCaP (8286 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

MDA-MB-231 (73002 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

ILK Tchem Serine/threonine-protein kinase ILK-1 (603 活性数据)

点击查看靶蛋白信息： ILK

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

ROS1 Tclin Proto-oncogene tyrosine-protein kinase ROS (2436 活性数据)

点击查看靶蛋白信息： ROS1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

RICTOR Tbio Rapamycin-insensitive companion of mTOR (5 活性数据)

点击查看靶蛋白信息： RICTOR

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CDK5 Tchem Cyclin-dependent kinase 5/CDK5 activator 1 (3697 活性数据)

点击查看靶蛋白信息： CDK5

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CDK1 Tchem Cyclin-dependent kinase 1/cyclin B1 (1887 活性数据)

点击查看靶蛋白信息： CDK1

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）

Mus musculus (284745 活性数据)

点击查看此靶标相关信息

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	N-methyl-3-[1-(4-piperazin-1-ylphenyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propanamide
INCHI	1S/C30H30F3N5O/c1-34-29(39)15-10-25-20-28(38(36-25)27-13-11-26(12-14-27)37-18-16-35-17-19-37)23-4-2-21(3-5-23)22-6-8-24(9-7-22)30(31,32)33/h2-9,11-14,20,35H,10,15-19H2,1H3,(H,34,39)
InChi Key	GHBUPSVATJKTRR-UHFFFAOYSA-N
Smiles	CNC(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)N5CCNCC5
Isomeric SMILES	CNC(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)N5CCNCC5
MeSH Entry Terms	N-methyl-3-(1-(4-(piperazin-1-yl)phenyl)-5-(4'-(trifluoromethyl)-(1,1'-biphenyl)-4-yl)-1H-pyrazol-3-yl)propanamide;N-methyl-PPTBPP;OSU-T315
分子量	533.59
Reaxy-Rn	21888688
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21888688&ln=

化学和物理性质

分子量	533.600 g/mol
XLogP3	5.100
氢键供体数Hydrogen Bond Donor Count	2
氢键受体数Hydrogen Bond Acceptor Count	7
可旋转键计数Rotatable Bond Count	7
精确质量Exact Mass	533.24 Da
单同位素质量Monoisotopic Mass	533.24 Da
拓扑极表面积Topological Polar Surface Area	62.200 Å²
重原子数Heavy Atom Count	39
形式电荷Formal Charge	0
复杂度Complexity	767.000
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	0
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

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批号(Lot Number)	证书类型	货号
B2402420	分析证书	O412290
B2402421	分析证书	O412290
B2402452	分析证书	O412290
B2402453	分析证书	O412290
B2402454	分析证书	O412290
B2402455	分析证书	O412290
B2402456	分析证书	O412290
B2402573	分析证书	O412290

引用文献

1. Persad S, Attwell S, Gray V, Delcommenne M, Troussard A, Sanghera J, Dedhar S. (2000) Inhibition of integrin-linked kinase (ILK) suppresses activation of protein kinase B/Akt and induces cell cycle arrest and apoptosis of PTEN-mutant prostate cancer cells.. Proc Natl Acad Sci USA, 97 (7): (3207-12). [PMID:10716737]
2. Deng JT, Van Lierop JE, Sutherland C, Walsh MP. (2001) Ca2+-independent smooth muscle contraction. a novel function for integrin-linked kinase.. J Biol Chem, 276 (19): (16365-73). [PMID:11278951]
3. Persad S, Attwell S, Gray V, Mawji N, Deng JT, Leung D, Yan J, Sanghera J, Walsh MP, Dedhar S. (2001) Regulation of protein kinase B/Akt-serine 473 phosphorylation by integrin-linked kinase: critical roles for kinase activity and amino acids arginine 211 and serine 343.. J Biol Chem, 276 (29): (27462-9). [PMID:11313365]
4. Graff JR, Deddens JA, Konicek BW, Colligan BM, Hurst BM, Carter HW, Carter JH. (2001) Integrin-linked kinase expression increases with prostate tumor grade.. Clin Cancer Res, 7 (7): (1987-91). [PMID:11448915]
5. Deng JT, Sutherland C, Brautigan DL, Eto M, Walsh MP. (2002) Phosphorylation of the myosin phosphatase inhibitors, CPI-17 and PHI-1, by integrin-linked kinase.. Biochem J, 367 (Pt 2): (517-24). [PMID:12144526]
6. Ito R, Oue N, Zhu X, Yoshida K, Nakayama H, Yokozaki H, Yasui W. (2003) Expression of integrin-linked kinase is closely correlated with invasion and metastasis of gastric carcinoma.. Virchows Arch, 442 (2): (118-23). [PMID:12596061]
7. Troussard AA, Mawji NM, Ong C, Mui A, St -Arnaud R, Dedhar S. (2003) Conditional knock-out of integrin-linked kinase demonstrates an essential role in protein kinase B/Akt activation.. J Biol Chem, 278 (25): (22374-8). [PMID:12686550]
8. Ahmed N, Riley C, Oliva K, Stutt E, Rice GE, Quinn MA. (2003) Integrin-linked kinase expression increases with ovarian tumour grade and is sustained by peritoneal tumour fluid.. J Pathol, 201 (2): (229-37). [PMID:14517840]
9. Bravou V, Klironomos G, Papadaki E, Taraviras S, Varakis J. (2006) ILK over-expression in human colon cancer progression correlates with activation of beta-catenin, down-regulation of E-cadherin and activation of the Akt-FKHR pathway.. J Pathol, 208 (1): (91-9). [PMID:16278819]
10. Schaeffer DF, Assi K, Chan K, Buczkowski AK, Chung SW, Scudamore CH, Weiss A, Salh B, Owen DA. (2010) Tumor expression of integrin-linked kinase (ILK) correlates with the expression of the E-cadherin repressor snail: an immunohistochemical study in ductal pancreatic adenocarcinoma.. Virchows Arch, 456 (3): (261-8). [PMID:20091050]
11. Pontier SM, Huck L, White DE, Rayment J, Sanguin-Gendreau V, Hennessy B, Zuo D, St-Arnaud R, Mills GB, Dedhar S et al.. (2010) Integrin-linked kinase has a critical role in ErbB2 mammary tumor progression: implications for human breast cancer.. Oncogene, 29 (23): (3374-85). [PMID:20305688]
12. Chan J, Ko FC, Yeung YS, Ng IO, Yam JW. (2011) Integrin-linked kinase overexpression and its oncogenic role in promoting tumorigenicity of hepatocellular carcinoma.. PLoS ONE, 6 (2): (e16984). [PMID:21347395]
13. Lee SL, Hsu EC, Chou CC, Chuang HC, Bai LY, Kulp SK, Chen CS. (2011) Identification and characterization of a novel integrin-linked kinase inhibitor.. J Med Chem, 54 (18): (6364-74). [PMID:21823616]
14. Delcommenne M, Tan C, Gray V, Rue L, Woodgett J, Dedhar S. (1998) Phosphoinositide-3-OH kinase-dependent regulation of glycogen synthase kinase 3 and protein kinase B/AKT by the integrin-linked kinase.. Proc Natl Acad Sci USA, 95 (19): (11211-6). [PMID:9736715]

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