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JG-98, an allosteric heat shock protein 70 (Hsp70) inhibitor, which binds tightly to a conserved site on Hsp70 and disrupts the Hsp70-Bag3 interaction. JG-98 exhibits anticancer properties that impact tumor-associated macrophages as well as cancer cells.
Targets |
Hsp70
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ln Vitro |
JG-98 (30 nM-30 μM; 72 hours) exhibits antiproliferative activity against a variety of cell lines, with EC50s ranging from approximately 0.3 to 4 μM[2].
JG-98 (10 μM; 48 hours) activates apoptotic mediators (cleavage of PARP and caspase-3 in MDA-MB-231 cells[1]. JG-98 relieves the inhibition of downstream effectors, such as p21 and p27, and destabilizes FoxM1[2]. |
ln Vivo |
JG-98 (3 mg/kg; intraperitoneally; on days 0, 2, and 4) inhibits the growth of tumors in xenograft models containing HeLa and MCF7 cells[2].
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Cell Assay |
Cell Line: MCF-7, MDA-MB-231, A375, MeWo, HeLa, HT-29, SKOV3, Jurkat, mouse embryonic fibroblasts (MEF), MM1.R, INA6, RPMI-8226, JJN-3, U266, NCI-H929, L363, MM1.S, KMS11, LP-1, AMO-1, OPM1, OPM2 cells
Concentration: 30 nM-30 μM Incubation Time: 72 hours Result: Active against all of the lines tested, and the EC50s were variable (between ~0.3 μM and 4 μM). Normal MEFs and OPM1 and OPM2 were relatively less sensitive. |
Animal Protocol |
6-week-old NCR mice (xenografts of MCF7 and HeLa cells)
3 mg/kg Intraperitoneal injection; on days 0, 2, and 4 |
References |
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Molecular Formula |
C24H21CL2N3OS3
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Molecular Weight |
534.5440
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Exact Mass |
533.02
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Elemental Analysis |
C, 53.93; H, 3.96; Cl, 13.26; N, 7.86; O, 2.99; S, 17.99
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CAS # |
1456551-16-8
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Related CAS # |
1456551-16-8 (chloride); 1456687-09-4 (cation)
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PubChem CID |
72547053
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Appearance |
Yellow to orange solid powder
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Hydrogen Bond Donor Count |
0
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Hydrogen Bond Acceptor Count |
6
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Rotatable Bond Count |
4
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Heavy Atom Count |
33
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Complexity |
785
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Defined Atom Stereocenter Count |
0
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SMILES |
CCN1/C(=C/C2=[N+](C=CS2)CC3=CC=CC=C3)/S/C(=C/4\N(C5=C(S4)C=C(C=C5)Cl)C)/C1=O.[Cl-]
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InChi Key |
AUPPGWXGMILTRB-HDPAMLMOSA-M
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InChi Code |
InChI=1S/C24H21ClN3OS3.ClH/c1-3-28-21(14-20-27(11-12-30-20)15-16-7-5-4-6-8-16)32-22(23(28)29)24-26(2)18-10-9-17(25)13-19(18)31-24;/h4-14H,3,15H2,1-2H3;1H/q+1;/p-1/b24-22+;
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Chemical Name |
(2Z,5E)-2-[(3-benzyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethyl-1,3-thiazolidin-4-one;chloride
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Synonyms |
JG-98; JG98; JG 98
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HS Tariff Code |
2934.99.9001
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Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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Solubility (In Vitro) |
DMSO: 5~10 mg/mL (9.4~18.7 mM)
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Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 :Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 1.8708 mL | 9.3538 mL | 18.7077 mL | |
5 mM | 0.3742 mL | 1.8708 mL | 3.7415 mL | |
10 mM | 0.1871 mL | 0.9354 mL | 1.8708 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration: mg/mL;
Method for preparing DMSO stock solution: mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation::Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
JG-98 binds to a conserved, allosteric site on an Hsp70 family member. CS Med Chem Lett . 2013 Nov 14;4(11):1042-1047. td> |
JG-98 is active in MCF7 and HeLa xenograft models. Mol Cancer Ther . 2015 Mar;14(3):642-8. td> |
JG-98 is an improved allosteric inhibitor of Hsp70. Mol Cancer Ther . 2015 Mar;14(3):642-8. td> |
shRNA screening and effects of combinations of JG-98 with proteasome inhibitors. Sci Rep . 2018 Feb 14;8(1):3010. td> |
Combination of JG-98 with RNApol inhibitors. Sci Rep . 2018 Feb 14;8(1):3010. td> |