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MedKoo Cat#: 534622 | Name: Nek2/7-IN-51

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Nek2/7-IN-51 is a novel ATP-competitive inhibitor of Nek2 and Nek7.

Chemical Structure

Nek2/7-IN-51
Nek2/7-IN-51
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 534622

Name: Nek2/7-IN-51

CAS#: N/A

Chemical Formula: C23H33N7O3S

Exact Mass: 487.2366

Molecular Weight: 487.62

Elemental Analysis: C, 56.65; H, 6.82; N, 20.11; O, 9.84; S, 6.57

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Nek2/7-IN-51
IUPAC/Chemical Name
3-((6-(Cyclohexylmethoxy)-9H-purin-2-yl)amino)-N-(3-(dimethylamino)propyl)benzenesulfonamide
InChi Key
PEEXIAQHZDNIBT-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H33N7O3S/c1-30(2)13-7-12-26-34(31,32)19-11-6-10-18(14-19)27-23-28-21-20(24-16-25-21)22(29-23)33-15-17-8-4-3-5-9-17/h6,10-11,14,16-17,26H,3-5,7-9,12-13,15H2,1-2H3,(H2,24,25,27,28,29)
SMILES Code
O=S(C1=CC=CC(NC2=NC(OCC3CCCCC3)=C4N=CNC4=N2)=C1)(NCCCN(C)C)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 487.62 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Franqui-Machin R, Hao M, Bai H, Gu Z, Zhan X, Habelhah H, Jethava Y, Qiu L, Frech I, Tricot G, Zhan F. Destabilizing NEK2 overcomes resistance to proteasome inhibition in multiple myeloma. J Clin Invest. 2018 Jul 2;128(7):2877-2893. doi: 10.1172/JCI98765. Epub 2018 Jun 4. PMID: 29863498; PMCID: PMC6026005. 2: Gu Z, Xia J, Xu H, Frech I, Tricot G, Zhan F. NEK2 Promotes Aerobic Glycolysis in Multiple Myeloma Through Regulating Splicing of Pyruvate Kinase. J Hematol Oncol. 2017 Jan 13;10(1):17. doi: 10.1186/s13045-017-0392-4. PMID: 28086949; PMCID: PMC5237262. 3: Deng L, Sun J, Chen X, Liu L, Wu D. Nek2 augments sorafenib resistance by regulating the ubiquitination and localization of β-catenin in hepatocellular carcinoma. J Exp Clin Cancer Res. 2019 Jul 18;38(1):316. doi: 10.1186/s13046-019-1311-z. PMID: 31319849; PMCID: PMC6639974. 4: Zhou W, Yang Y, Xia J, Wang H, Salama ME, Xiong W, Xu H, Shetty S, Chen T, Zeng Z, Shi L, Zangari M, Miles R, Bearss D, Tricot G, Zhan F. NEK2 induces drug resistance mainly through activation of efflux drug pumps and is associated with poor prognosis in myeloma and other cancers. Cancer Cell. 2013 Jan 14;23(1):48-62. doi: 10.1016/j.ccr.2012.12.001. PMID: 23328480; PMCID: PMC3954609. 5: Cheng Y, Chen X, Ye L, Zhang Y, Liang J, Liu W, Zhou B, Zheng S, Huang Y, Chen G, Deng Y, Zhang Q, Yang Y. The Prognostic Significance of NEK2 in Hepatocellular Carcinoma: Evidence from a Meta-Analysis and Retrospective Cohort Study. Cell Physiol Biochem. 2018;51(6):2746-2759. doi: 10.1159/000495966. Epub 2018 Dec 12. PMID: 30562736. 6: Wang J, Cheng P, Pavlyukov MS, Yu H, Zhang Z, Kim SH, Minata M, Mohyeldin A, Xie W, Chen D, Goidts V, Frett B, Hu W, Li H, Shin YJ, Lee Y, Nam DH, Kornblum HI, Wang M, Nakano I. Targeting NEK2 attenuates glioblastoma growth and radioresistance by destabilizing histone methyltransferase EZH2. J Clin Invest. 2017 Aug 1;127(8):3075-3089. doi: 10.1172/JCI89092. Epub 2017 Jul 24. PMID: 28737508; PMCID: PMC5531394. 7: Ren Q, Li B, Liu M, Hu Z, Wang Y. Prognostic value of NEK2 overexpression in digestive system cancers: a meta-analysis and systematic review. Onco Targets Ther. 2018 Oct 18;11:7169-7178. doi: 10.2147/OTT.S169911. PMID: 30425509; PMCID: PMC6203090. 8: Lu H, Yao B, Wen X, Jia B. FBXW7 circular RNA regulates proliferation, migration and invasion of colorectal carcinoma through NEK2, mTOR, and PTEN signaling pathways in vitro and in vivo. BMC Cancer. 2019 Sep 13;19(1):918. doi: 10.1186/s12885-019-6028-z. PMID: 31519156; PMCID: PMC6744671. 9: Li Y, Chen L, Feng L, Zhu M, Shen Q, Fang Y, Liu X, Zhang X. NEK2 promotes proliferation, migration and tumor growth of gastric cancer cells via regulating KDM5B/H3K4me3. Am J Cancer Res. 2019 Nov 1;9(11):2364-2378. PMID: 31815040; PMCID: PMC6895449. 10: Wang X, Chen K, Liu H, Huang Z, Chen X, Yin L. Prognostic significance of NEK2 in human solid tumors: a systematic review and meta-analysis. Biosci Rep. 2019 Jan 18;39(1):BSR20180618. doi: 10.1042/BSR20180618. PMID: 30578380; PMCID: PMC6341124.

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