CH5164840

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

MedKoo CAT#: 406498

CAS#: 1052645-73-4

Description: 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

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CH5164840
CAS# 1052645-73-4
Instruction

Theoretical Analysis

MedKoo Cat#: 406498
Name: CH5164840
CAS#: 1052645-73-4
Chemical Formula: C19H23N5O2S
Exact Mass: 385.16
Molecular Weight: 385.483
Elemental Analysis: C, 59.20; H, 6.01; N, 18.17; O, 8.30; S, 8.32

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

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      

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.