MedKoo Cat#: 406498 | Name: CH5164840

Description:

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

CH5164840 is a potent and selective HSP90 inhibitor. CH5164840 showed remarkable antitumor activity against NSCLC cell lines and xenograft models. CH5164840 has potent antitumor activity and is highly effective in combination with erlotinib against NSCLC tumors with EGFR overexpression and mutations.

Chemical Structure

CH5164840
CH5164840
CAS#1052645-73-4

Theoretical Analysis

MedKoo Cat#: 406498

Name: CH5164840

CAS#: 1052645-73-4

Chemical Formula: C19H23N5O2S

Exact Mass: 385.1573

Molecular Weight: 385.48

Elemental Analysis: C, 59.20; H, 6.01; N, 18.17; O, 8.30; S, 8.32

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
CH5164840; CH-5164840; CH 5164840.
IUPAC/Chemical Name
7 -​Thia-​3,​5,​11,​15-​tetraazatricyclo[15.​3.1.12,​6]​docosa-​1(21)​,​2,​4,​6(22)​,​17,​19-​hexaene-​10,​16-​dione, 4-​amino-​18,​20-​dimethyl-.
InChi Key
OMFBVBRFVYLRQT-UHFFFAOYSA-N
InChi Code
InChI=1S/C19H23N5O2S/c1-11-8-12(2)14-9-13(11)15-10-17(24-19(20)23-15)27-7-4-16(25)21-5-3-6-22-18(14)26/h8-10H,3-7H2,1-2H3,(H,21,25)(H,22,26)(H2,20,23,24)
SMILES Code
NC1=NC(C(C=C2C(NCCCN3)=O)=C(C)C=C2C)=CC(SCCC3=O)=N1
Appearance
white 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
>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
   Structure comparison between   CH5015765 ,  CH5138303 and CH5164804      

Preparing Stock Solutions

The following data is based on the product molecular weight 385.48 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: Kanamaru C, Yamada Y, Hayashi S, Matsushita T, Suda A, Nagayasu M, Kimura K, Chiba S. Retinal toxicity induced by small-molecule Hsp90 inhibitors in beagle dogs. J Toxicol Sci. 2014;39(1):59-69. PubMed PMID: 24418710. 2: Saitoh R, Nagayasu M, Shibahara N, Ono N, Suda A, Kato M, Ishigai M. Assessing the Impact of HER2 Status on the Antitumor Activity of an HSP90 Inhibitor in Human Tumor Xenograft Mice using Pharmacokinetics-Pharmacodynamic Modeling. Drug Metab Pharmacokinet. 2013 Oct 15. [Epub ahead of print] PubMed PMID: 24126359. 3: Ono N, Yamazaki T, Tsukaguchi T, Fujii T, Sakata K, Suda A, Tsukuda T, Mio T, Ishii N, Kondoh O, Aoki Y. Enhanced antitumor activity of erlotinib in combination with the Hsp90 inhibitor CH5164840 against non-small-cell lung cancer. Cancer Sci. 2013 Oct;104(10):1346-52. doi: 10.1111/cas.12237. Epub 2013 Aug 20. PubMed PMID: 23863134. 4: Suda A, Koyano H, Hayase T, Hada K, Kawasaki K, Komiyama S, Hasegawa K, Fukami TA, Sato S, Miura T, Ono N, Yamazaki T, Saitoh R, Shimma N, Shiratori Y, Tsukuda T. Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors. Bioorg Med Chem Lett. 2012 Jan 15;22(2):1136-41. doi: 10.1016/j.bmcl.2011.11.100. Epub 2011 Dec 1. PubMed PMID: 22192591. 5: Ono N, Yamazaki T, Nakanishi Y, Fujii T, Sakata K, Tachibana Y, Suda A, Hada K, Miura T, Sato S, Saitoh R, Nakano K, Tsukuda T, Mio T, Ishii N, Kondoh O, Aoki Y. Preclinical antitumor activity of the novel heat shock protein 90 inhibitor CH5164840 against human epidermal growth factor receptor 2 (HER2)-overexpressing cancers. Cancer Sci. 2012 Feb;103(2):342-9. doi: 10.1111/j.1349-7006.2011.02144.x. Epub 2011 Dec 13. PubMed PMID: 22050138.