V158411

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

MedKoo CAT#: 563769

CAS#: 1174664-88-0

Description: V158411 is a novel selective Chk1 inhibitor.


Price and Availability

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V158411 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 563769
Name: V158411
CAS#: 1174664-88-0
Chemical Formula: C31H34N6O3
Exact Mass: 538.2692
Molecular Weight: 538.65
Elemental Analysis: C, 69.12; H, 6.36; N, 15.60; O, 8.91


Synonym: V158411; V 158411; V-158411; VER00158411; VER 00158411; VER-00158411

IUPAC/Chemical Name: 1-Benzyl-N-(5-(5-(3-(dimethylamino)-2,2-dimethylpropoxy)-1H-indol-2-yl)-6-oxo-1,6-dihydropyridin-3-yl)-1H-pyrazole-4-carboxamide

InChi Key: REQMZUHAMVOEON-UHFFFAOYSA-N

InChi Code: InChI=1S/C31H34N6O3/c1-31(2,19-36(3)4)20-40-25-10-11-27-22(12-25)13-28(35-27)26-14-24(16-32-30(26)39)34-29(38)23-15-33-37(18-23)17-21-8-6-5-7-9-21/h5-16,18,35H,17,19-20H2,1-4H3,(H,32,39)(H,34,38)

SMILES Code: O=C(C1=CN(CC2=CC=CC=C2)N=C1)NC(C=C3C(N4)=CC5=C4C=CC(OCC(C)(C)CN(C)C)=C5)=CNC3=O


Technical Data

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).

Harmonized System Code:
2934.99.03.00


References

1: Massey AJ, Stokes S, Browne H, Foloppe N, Fiumana A, Scrace S, Fallowfield M, Bedford S, Webb P, Baker L, Christie M, Drysdale MJ, Wood M. Identification of novel, in vivo active Chk1 inhibitors utilizing structure guided drug design. Oncotarget. 2015 Nov 3;6(34):35797-812. doi: 10.18632/oncotarget.5929. PubMed PMID: 26437226; PubMed Central PMCID: PMC4742142.

2: Rawlinson R, Massey AJ. γH2AX and Chk1 phosphorylation as predictive pharmacodynamic biomarkers of Chk1 inhibitor-chemotherapy combination treatments. BMC Cancer. 2014 Jul 4;14:483. doi: 10.1186/1471-2407-14-483. PubMed PMID: 24996846; PubMed Central PMCID: PMC4094550.

3: Massey AJ, Stephens P, Rawlinson R, McGurk L, Plummer R, Curtin NJ. mTORC1 and DNA-PKcs as novel molecular determinants of sensitivity to Chk1 inhibition. Mol Oncol. 2016 Jan;10(1):101-12. doi: 10.1016/j.molonc.2015.08.004. Epub 2015 Aug 25. PubMed PMID: 26471831; PubMed Central PMCID: PMC5528927.

4: Bryant C, Scriven K, Massey AJ. Inhibition of the checkpoint kinase Chk1 induces DNA damage and cell death in human Leukemia and Lymphoma cells. Mol Cancer. 2014 Jun 10;13:147. doi: 10.1186/1476-4598-13-147. PubMed PMID: 24913641; PubMed Central PMCID: PMC4082411.

5: Bryant C, Rawlinson R, Massey AJ. Chk1 inhibition as a novel therapeutic strategy for treating triple-negative breast and ovarian cancers. BMC Cancer. 2014 Aug 7;14:570. doi: 10.1186/1471-2407-14-570. PubMed PMID: 25104095; PubMed Central PMCID: PMC4137066.

6: Alsubhi N, Middleton F, Abdel-Fatah TM, Stephens P, Doherty R, Arora A, Moseley PM, Chan SY, Aleskandarany MA, Green AR, Rakha EA, Ellis IO, Martin SG, Curtin NJ, Madhusudan S. Chk1 phosphorylated at serine345 is a predictor of early local recurrence and radio-resistance in breast cancer. Mol Oncol. 2016 Feb;10(2):213-23. doi: 10.1016/j.molonc.2015.09.009. Epub 2015 Oct 3. PubMed PMID: 26459098; PubMed Central PMCID: PMC5528957.

7: Wayne J, Brooks T, Massey AJ. Inhibition of Chk1 with the small molecule inhibitor V158411 induces DNA damage and cell death in an unperturbed S-phase. Oncotarget. 2016 Dec 20;7(51):85033-85048. doi: 10.18632/oncotarget.13119. PubMed PMID: 27829224; PubMed Central PMCID: PMC5356717.

8: Massey AJ. Inhibition of ATR-dependent feedback activation of Chk1 sensitises cancer cells to Chk1 inhibitor monotherapy. Cancer Lett. 2016 Dec 1;383(1):41-52. doi: 10.1016/j.canlet.2016.09.024. Epub 2016 Sep 28. PubMed PMID: 27693461.

9: Geneste CC, Massey AJ. Cell Density Affects the Detection of Chk1 Target Engagement by the Selective Inhibitor V158411. SLAS Discov. 2018 Feb;23(2):144-153. doi: 10.1177/2472555217738534. Epub 2017 Oct 19. PubMed PMID: 29048945.

10: Massey AJ. A high content, high throughput cellular thermal stability assay for measuring drug-target engagement in living cells. PLoS One. 2018 Apr 4;13(4):e0195050. doi: 10.1371/journal.pone.0195050. eCollection 2018. PubMed PMID: 29617433; PubMed Central PMCID: PMC5884524.