NU6102
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MedKoo CAT#: 407387

CAS#: 444722-95-6

Description: NU6102 is a potent inhibitor of Cdk1 and Cdk2 with Ki values of 9 and 6 nM and IC50 values of 9.5 and 5.4 nM, respectively. NU 6102 inhibits Cdk4 activity with an IC50 value of 1.6 μM


Price and Availability

Size Price Shipping out time Quantity
5mg USD 235 Same Day
Inquire bulk and customized quantity

Pricing updated 2020-08-03. Prices are subject to change without notice.

NU6102, purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 407387
Name: NU6102
CAS#: 444722-95-6
Chemical Formula: C18H22N6O3S
Exact Mass: 402.1474
Molecular Weight: 402.473
Elemental Analysis: C, 53.72; H, 5.51; N, 20.88; O, 11.93; S, 7.97


Synonym: NU6102; NU-6102; NU 6102.

IUPAC/Chemical Name: 4-((6-(cyclohexylmethoxy)-9H-purin-2-yl)amino)benzenesulfonamide

InChi Key: OWXORKPNCHJYOF-UHFFFAOYSA-N

InChi Code: InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)

SMILES Code: O=S(C1=CC=C(NC2=NC(OCC3CCCCC3)=C4N=CNC4=N2)C=C1)(N)=O


Technical Data

Appearance:
Solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Certificate of Analysis:

Safety Data Sheet (SDS):

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:
>2 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


References

1: Beale G, Haagensen EJ, Thomas HD, Wang LZ, Revill CH, Payne SL, Golding BT, Hardcastle IR, Newell DR, Griffin RJ, Cano C. Combined PI3K and CDK2 inhibition induces cell death and enhances in vivo antitumour activity in colorectal cancer. Br J Cancer. 2016 Sep 6;115(6):682-90. doi: 10.1038/bjc.2016.238. PubMed PMID: 27529512; PubMed Central PMCID: PMC5023777.

2: Treviño LS, Bolt MJ, Grimm SL, Edwards DP, Mancini MA, Weigel NL. Differential Regulation of Progesterone Receptor-Mediated Transcription by CDK2 and DNA-PK. Mol Endocrinol. 2016 Feb;30(2):158-72. doi: 10.1210/me.2015-1144. PubMed PMID: 26652902; PubMed Central PMCID: PMC4792227.

3: Anscombe E, Meschini E, Mora-Vidal R, Martin MP, Staunton D, Geitmann M, Danielson UH, Stanley WA, Wang LZ, Reuillon T, Golding BT, Cano C, Newell DR, Noble ME, Wedge SR, Endicott JA, Griffin RJ. Identification and Characterization of an Irreversible Inhibitor of CDK2. Chem Biol. 2015 Sep 17;22(9):1159-64. doi: 10.1016/j.chembiol.2015.07.018. PubMed PMID: 26320860; PubMed Central PMCID: PMC4579270.

4: Moore NL, Edwards DP, Weigel NL. Cyclin A2 and its associated kinase activity are required for optimal induction of progesterone receptor target genes in breast cancer cells. J Steroid Biochem Mol Biol. 2014 Oct;144 Pt B:471-82. doi: 10.1016/j.jsbmb.2014.09.009. PubMed PMID: 25220500; PubMed Central PMCID: PMC4201666.

5: Thomas HD, Wang LZ, Roche C, Bentley J, Cheng Y, Hardcastle IR, Golding BT, Griffin RJ, Curtin NJ, Newell DR. Preclinical in vitro and in vivo evaluation of the potent and specific cyclin-dependent kinase 2 inhibitor NU6102 and a water soluble prodrug NU6301. Eur J Cancer. 2011 Sep;47(13):2052-9. doi: 10.1016/j.ejca.2011.04.008. PubMed PMID: 21570822.

6: Johnson N, Bentley J, Wang LZ, Newell DR, Robson CN, Shapiro GI, Curtin NJ. Pre-clinical evaluation of cyclin-dependent kinase 2 and 1 inhibition in anti-estrogen-sensitive and resistant breast cancer cells. Br J Cancer. 2010 Jan 19;102(2):342-50. doi: 10.1038/sj.bjc.6605479. PubMed PMID: 20010939; PubMed Central PMCID: PMC2816653.

7: Harrison LR, Ottley CJ, Pearson DG, Roche C, Wedge SR, Dolan ME, Newell DR, Tilby MJ. The kinase inhibitor O6-cyclohexylmethylguanine (NU2058) potentiates the cytotoxicity of cisplatin by mechanisms that are independent of its effect upon CDK2. Biochem Pharmacol. 2009 May 15;77(10):1586-92. doi: 10.1016/j.bcp.2009.02.018. PubMed PMID: 19426695.

8: Krasinska L, Cot E, Fisher D. Selective chemical inhibition as a tool to study Cdk1 and Cdk2 functions in the cell cycle. Cell Cycle. 2008 Jun 15;7(12):1702-8. PubMed PMID: 18583935; PubMed Central PMCID: PMC3804923.

9: Pratt DJ, Bentley J, Jewsbury P, Boyle FT, Endicott JA, Noble ME. Dissecting the determinants of cyclin-dependent kinase 2 and cyclin-dependent kinase 4 inhibitor selectivity. J Med Chem. 2006 Sep 7;49(18):5470-7. PubMed PMID: 16942020.

10: Heady L, Fernandez-Serra M, Mancera RL, Joyce S, Venkitaraman AR, Artacho E, Skylaris CK, Ciacchi LC, Payne MC. Novel structural features of CDK inhibition revealed by an ab initio computational method combined with dynamic simulations. J Med Chem. 2006 Aug 24;49(17):5141-53. PubMed PMID: 16913703.

11: Sheinerman FB, Giraud E, Laoui A. High affinity targets of protein kinase inhibitors have similar residues at the positions energetically important for binding. J Mol Biol. 2005 Oct 7;352(5):1134-56. PubMed PMID: 16139843.

12: Jiang Y, Zou J, Gui C. Study of a ligand complexed with Cdk2/Cdk4 by computer simulation. J Mol Model. 2005 Nov;11(6):509-15. PubMed PMID: 15928920.

13: Hardcastle IR, Arris CE, Bentley J, Boyle FT, Chen Y, Curtin NJ, Endicott JA, Gibson AE, Golding BT, Griffin RJ, Jewsbury P, Menyerol J, Mesguiche V, Newell DR, Noble ME, Pratt DJ, Wang LZ, Whitfield HJ. N2-substituted O6-cyclohexylmethylguanine derivatives: potent inhibitors of cyclin-dependent kinases 1 and 2. J Med Chem. 2004 Jul 15;47(15):3710-22. PubMed PMID: 15239650.

14: Davies TG, Bentley J, Arris CE, Boyle FT, Curtin NJ, Endicott JA, Gibson AE, Golding BT, Griffin RJ, Hardcastle IR, Jewsbury P, Johnson LN, Mesguiche V, Newell DR, Noble ME, Tucker JA, Wang L, Whitfield HJ. Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor. Nat Struct Biol. 2002 Oct;9(10):745-9. PubMed PMID: 12244298.