WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 406496
CAS#: 959766-47-3
Description: CH5015765 is a novel, potent, and selective HSP90 inhibitor. CH5015765 showed high affinity for Hsp90 and antitumor activity in human cancer xenograft mouse models.
MedKoo Cat#: 406496
Name: CH5015765
CAS#: 959766-47-3
Chemical Formula: C16H13ClN4OS
Exact Mass: 344.04986
Molecular Weight: 344.82
Elemental Analysis: C, 55.73; H, 3.80; Cl, 10.28; N, 16.25; O, 4.64; S, 9.30
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Synonym: CH5015765; CH-5015765; CH 5015765
IUPAC/Chemical Name: 4-(5-chloro-1,3-dihydrobenzo[de]isochromen-6-yl)-6-(methylthio)-1,3,5-triazin-2-amine.
InChi Key: FPTCGMGLTQPTGE-UHFFFAOYSA-N
InChi Code: InChI=1S/C16H13ClN4OS/c1-23-16-20-14(19-15(18)21-16)13-10-4-2-3-8-6-22-7-9(12(8)10)5-11(13)17/h2-5H,6-7H2,1H3,(H2,18,19,20,21)
SMILES Code: NC1=NC(C2=C3C(C(COC4)=CC=C3)=C4C=C2Cl)=NC(SC)=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
The following data is based on the product molecular weight 344.82 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.
| 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: Suda A, Kawasaki K, Komiyama S, Isshiki Y, Yoon DO, Kim SJ, Na YJ, Hasegawa K, Fukami TA, Sato S, Miura T, Ono N, Yamazaki T, Saitoh R, Shimma N, Shiratori Y, Tsukuda T. Design and synthesis of 2-amino-6-(1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazines as novel Hsp90 inhibitors. Bioorg Med Chem. 2014 Jan 15;22(2):892-905. doi: 10.1016/j.bmc.2013.11.036. Epub 2013 Nov 25. PubMed PMID: 24369839.
2: 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.
3: Miura T, Fukami TA, Hasegawa K, Ono N, Suda A, Shindo H, Yoon DO, Kim SJ, Na YJ, Aoki Y, Shimma N, Tsukuda T, Shiratori Y. Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design. Bioorg Med Chem Lett. 2011 Oct 1;21(19):5778-83. doi: 10.1016/j.bmcl.2011.08.001. Epub 2011 Aug 6. PubMed PMID: 21875802.
Structure comparison between CH5015765, CH5138303, and CH5164804
