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MedKoo Cat#: 406227 | Name: CCT018159

Description:

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

CCT018159 is a novel inhibitor of heat shock protein (Hsp) 90 with potential anticancer activity. CCT018159 inhibited human HSP90beta with comparable potency to 17-AAG and with similar ATP-competitive kinetics. The mean cellular GI(50) value of CCT018159 across a panel of human cancer cell lines, including melanoma, was 5.3 mumol/L. CCT018159 caused cell cytostasis associated with a G(1) arrest and induced apoptosis. CCT018159 also inhibited key endothelial and tumor cell functions implicated in invasion and angiogenesis.

Chemical Structure

CCT018159
CCT018159
CAS#171009-07-7

Theoretical Analysis

MedKoo Cat#: 406227

Name: CCT018159

CAS#: 171009-07-7

Chemical Formula: C20H20N2O4

Exact Mass: 352.1423

Molecular Weight: 352.38

Elemental Analysis: C, 68.17; H, 5.72; N, 7.95; O, 18.16

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
CCT018159; CCT-018159; CCT 018159.
IUPAC/Chemical Name
4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-methyl-1H-pyrazol-3-yl)-6-ethylbenzene-1,3-diol
InChi Key
OWPMENVYXDJDOW-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)
SMILES Code
OC1=C(CC)C=C(C2=NNC(C)=C2C3=CC=C4OCCOC4=C3)C(O)=C1
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, not in water
Shelf Life
>5 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 352.38 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: van der Kraan AG, Chai RC, Singh PP, Lang BJ, Xu J, Gillespie MT, Price JT, Quinn JM. HSP90 Inhibitors Enhance Differentiation and Microphthalmia Transcription Factor (MITF) Activity in Osteoclast Progenitors. Biochem J. 2013 Feb 5. [Epub ahead of print] PubMed PMID: 23379601. 2: Qin S, Ni M, Wang X, Maurier-Mahé F, Shurland DL, Rodrigues GA. Inhibition of RPE cell sterile inflammatory responses and endotoxin-induced uveitis by a cell-impermeable HSP90 inhibitor. Exp Eye Res. 2011 Dec;93(6):889-97. doi: 10.1016/j.exer.2011.10.002. Epub 2011 Oct 18. PubMed PMID: 22019372. 3: Beloueche-Babari M, Arunan V, Jackson LE, Perusinghe N, Sharp SY, Workman P, Leach MO. Modulation of melanoma cell phospholipid metabolism in response to heat shock protein 90 inhibition. Oncotarget. 2010 Jul;1(3):185-97. PubMed PMID: 21037799; PubMed Central PMCID: PMC2965833. 4: Luo HM, Sun W, Yin JY, Yang XH. [Progress in the study of heat shock protein 90 inhibitors]. Yao Xue Xue Bao. 2010 Jul;45(7):813-20. Review. Chinese. PubMed PMID: 20931776. 5: Bai L, Xu S, Chen W, Li Z, Wang X, Tang H, Lin Y. Blocking NF-κB and Akt by Hsp90 inhibition sensitizes Smac mimetic compound 3-induced extrinsic apoptosis pathway and results in synergistic cancer cell death. Apoptosis. 2011 Jan;16(1):45-54. doi: 10.1007/s10495-010-0542-4. PubMed PMID: 20862547; PubMed Central PMCID: PMC3079540. 6: Sharp SY, Prodromou C, Boxall K, Powers MV, Holmes JL, Box G, Matthews TP, Cheung KM, Kalusa A, James K, Hayes A, Hardcastle A, Dymock B, Brough PA, Barril X, Cansfield JE, Wright L, Surgenor A, Foloppe N, Hubbard RE, Aherne W, Pearl L, Jones K, McDonald E, Raynaud F, Eccles S, Drysdale M, Workman P. Inhibition of the heat shock protein 90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole/isoxazole amide analogues. Mol Cancer Ther. 2007 Apr;6(4):1198-211. PubMed PMID: 17431102. 7: Sharp SY, Boxall K, Rowlands M, Prodromou C, Roe SM, Maloney A, Powers M, Clarke PA, Box G, Sanderson S, Patterson L, Matthews TP, Cheung KM, Ball K, Hayes A, Raynaud F, Marais R, Pearl L, Eccles S, Aherne W, McDonald E, Workman P. In vitro biological characterization of a novel, synthetic diaryl pyrazole resorcinol class of heat shock protein 90 inhibitors. Cancer Res. 2007 Mar 1;67(5):2206-16. PubMed PMID: 17332351. 8: Smith NF, Hayes A, James K, Nutley BP, McDonald E, Henley A, Dymock B, Drysdale MJ, Raynaud FI, Workman P. Preclinical pharmacokinetics and metabolism of a novel diaryl pyrazole resorcinol series of heat shock protein 90 inhibitors. Mol Cancer Ther. 2006 Jun;5(6):1628-37. PubMed PMID: 16818523. 9: Barril X, Beswick MC, Collier A, Drysdale MJ, Dymock BW, Fink A, Grant K, Howes R, Jordan AM, Massey A, Surgenor A, Wayne J, Workman P, Wright L. 4-Amino derivatives of the Hsp90 inhibitor CCT018159. Bioorg Med Chem Lett. 2006 May 1;16(9):2543-8. Epub 2006 Feb 9. PubMed PMID: 16480864. 10: Dymock BW, Barril X, Brough PA, Cansfield JE, Massey A, McDonald E, Hubbard RE, Surgenor A, Roughley SD, Webb P, Workman P, Wright L, Drysdale MJ. Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design. J Med Chem. 2005 Jun 30;48(13):4212-5. PubMed PMID: 15974572.

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