V-11-0711
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MedKoo CAT#: 407806

CAS#: 1428339-47-2

Description: V-11-0711 is a Chk-α inhibitor. V-11-0711 reduced the function of Chk-α by binding to the active site and inhibiting the catalytic activity but did not affect Chk-α protein levels. Chk-α protein and PtdCho, but not PC, may be essential in cancer cell proliferation.

Chemical Structure

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V-11-0711
CAS# 1428339-47-2
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 407806
Name: V-11-0711
CAS#: 1428339-47-2
Chemical Formula: C27H35NO3
Exact Mass: 421.26
Molecular Weight: 421.581
Elemental Analysis: C, 76.92; H, 8.37; N, 3.32; O, 11.39

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1mg USD 90 Ready to ship
5mg USD 350 Ready to ship
10mg USD 550 Ready to ship
25mg USD 1250 Ready to ship
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Related CAS #: 1428338-79-7 (RR-isomer)   1428339-47-2,  

Synonym: V-11-0711; V11-0711; V 11-0711; V-110711; V110711; V 110711.

IUPAC/Chemical Name: (1S)-1-phenyl-1-((1R,4R)-quinuclidin-3-yl)-3-(2-((tetrahydro-2H-pyran-4-yl)oxy)phenyl)propan-1-ol

InChi Key: XPPGCUMGAQHVOY-ZCJYOONXSA-N

InChi Code: InChI=1S/C27H35NO3/c29-27(23-7-2-1-3-8-23,25-20-28-16-11-21(25)12-17-28)15-10-22-6-4-5-9-26(22)31-24-13-18-30-19-14-24/h1-9,21,24-25,29H,10-20H2/t25?,27-/m1/s1

SMILES Code: OC(C1C[N@]2CC[C@]1([H])CC2)(C3=CC=CC=C3)CCC4=CC=CC=C4OC5CCOCC5

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: >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

More Info: Phosphatidylcholine (PtdCho) has important roles in membrane structure and cell signaling. Increased levels of choline kinase (Chk)-α, the enzyme that converts choline to phosphocholine (PC) in the PtdCho biosynthesis, and PC are consistently observed in aggressive cancers including breast cancer [1-3]. Understanding the roles of Chk-α in cancer can result in new therapies.

Biological target: V-11-0711 is a Chk-α inhibitor.
In vitro activity: In a translational approach, the CHKα-inhibitor V-11-0711 (Vertex Pharmaceuticals Incorporated) was applied on GBM cells and tested subsequent alterations in geno- and phenotype. V-11-0711 has been shown to specifically suppress CHKα catalytic activity in breast cancer and HeLa cells. GBM1 and JHH520 neurospheres were treated with DMSO, 0.1 μM V-11-0711 or 1 μM V-11-0711 for 48 h and metabolic extracts were analyzed by 1H NMR spectroscopy. As the PC signal at 3.22 ppm was highly reduced in the drug treated cells the ability of V-11-0711 to inhibit the enzymatic activity of CHKα in GBM cells was confirmed (Figure 7A). Additionally, V-11-0711 induced a dose dependent increase of CHKα protein in GBM1 but not in JHH520 cell line. Strikingly, treatment with 1 μM or 10 μM V-11-0711 for 48 h drastically reduced the cell viability of GBM1 and JHH520 cells (Figure8A) which we could associate with dose-dependent induction of apoptosis (Figure 8B). This confirms V-11-0711 as a potent CHKα and EMT inhibitor and suggests that the identified EMT-oncometabolic network may also be helpful to develop more tailored diagnostics monitoring the invasive properties of GBMs as well as surveilling the success of anti-EMT therapy. Reference: Oncotarget. 2016 Nov 8; 7(45): 73414–73431. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5341988/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO 0.0 0.00

Preparing Stock Solutions

The following data is based on the product molecular weight 421.58 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
Formulation protocol: 1. Koch K, Hartmann R, Schröter F, Suwala AK, Maciaczyk D, Krüger AC, Willbold D, Kahlert UD, Maciaczyk J. Reciprocal regulation of the cholinic phenotype and epithelial-mesenchymal transition in glioblastoma cells. Oncotarget. 2016 Nov 8;7(45):73414-73431. doi: 10.18632/oncotarget.12337. PMID: 27705917; PMCID: PMC5341988. 2. Falcon SC, Hudson CS, Huang Y, Mortimore M, Golec JM, Charlton PA, Weber P, Sundaram H. A non-catalytic role of choline kinase alpha is important in promoting cancer cell survival. Oncogenesis. 2013;2(3):e38. doi: 10.1038/oncsis.2013.2. PMID: 25522435; PMCID: PMC3641355.
In vitro protocol: 1. Koch K, Hartmann R, Schröter F, Suwala AK, Maciaczyk D, Krüger AC, Willbold D, Kahlert UD, Maciaczyk J. Reciprocal regulation of the cholinic phenotype and epithelial-mesenchymal transition in glioblastoma cells. Oncotarget. 2016 Nov 8;7(45):73414-73431. doi: 10.18632/oncotarget.12337. PMID: 27705917; PMCID: PMC5341988. 2. Falcon SC, Hudson CS, Huang Y, Mortimore M, Golec JM, Charlton PA, Weber P, Sundaram H. A non-catalytic role of choline kinase alpha is important in promoting cancer cell survival. Oncogenesis. 2013;2(3):e38. doi: 10.1038/oncsis.2013.2. PMID: 25522435; PMCID: PMC3641355.
In vivo protocol: TBD

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1: Koch K, Hartmann R, Schröter F, Suwala AK, Maciaczyk D, Krüger AC, Willbold D,
Kahlert UD, Maciaczyk J. Reciprocal regulation of the cholinic phenotype and
epithelial-mesenchymal transition in glioblastoma cells. Oncotarget. 2016 Nov
8;7(45):73414-73431. doi: 10.18632/oncotarget.12337. PubMed PMID: 27705917;
PubMed Central PMCID: PMC5341988.


2: Mori N, Wildes F, Kakkad S, Jacob D, Solaiyappan M, Glunde K, Bhujwalla ZM.
Choline kinase-α protein and phosphatidylcholine but not phosphocholine are
required for breast cancer cell survival. NMR Biomed. 2015 Dec;28(12):1697-706.
doi: 10.1002/nbm.3429. Epub 2015 Oct 27. PubMed PMID: 26503172.


3: Falcon SC, Hudson CS, Huang Y, Mortimore M, Golec JM, Charlton PA, Weber P,
Sundaram H. A non-catalytic role of choline kinase alpha is important in
promoting cancer cell survival. Oncogenesis. 2013;2:e38. PubMed PMID: 25522435;
PubMed Central PMCID: PMC3641355.