PU-WS13 | CAS#1454619-14-7 | Hsp90 inhibitor

MedKoo Cat#: 407120 | Name: PU-WS13

Description:

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

PU-WS13 is a potent, Grp94-specific Hsp90 inhibitor of the purine scaffold class. PU-WS13 has been shown to reduce the viability of breast cancer cells that express high levels of cell surface HER2 and the viability of human multiple myeloma cells in vitro.

Chemical Structure

PU-WS13

CAS#1454619-14-7

Theoretical Analysis

MedKoo Cat#: 407120

Name: PU-WS13

CAS#: 1454619-14-7

Chemical Formula: C17H20Cl2N6S

Exact Mass: 410.0847

Molecular Weight: 411.35

Elemental Analysis: C, 49.64; H, 4.90; Cl, 17.24; N, 20.43; S, 7.79

Price and Availability

Size	Price	Availability
50mg	USD 550.00	2 Weeks
100mg	USD 950.00	2 Weeks
200mg	USD 1,650.00	2 Weeks
500mg	USD 2,650.00	2 Weeks
1g	USD 3,250.00	2 Weeks
2g	USD 6,250.00	2 Weeks

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Related CAS #

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Synonym

PU-WS13; PU-WS-13; PU-WS 13.

IUPAC/Chemical Name

8-((3,5-dichlorophenyl)thio)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine

InChi Key

JYSLFQTWNRYWJT-UHFFFAOYSA-N

InChi Code

InChI=1S/C17H20Cl2N6S/c1-10(2)21-4-3-5-25-16-14(15(20)22-9-23-16)24-17(25)26-13-7-11(18)6-12(19)8-13/h6-10,21H,3-5H2,1-2H3,(H2,20,22,23)

SMILES Code

NC1=C2N=C(SC3=CC(Cl)=CC(Cl)=C3)N(CCCNC(C)C)C2=NC=N1

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

To be determined

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

PU-WS13 has been shown to reduce the viability of breast cancer cells that express high levels of cell surface HER2 and the viability of human multiple myeloma cells in vitro.

In vitro activity:

PU-WS13 can target endothelial cells in vitro. When tested in cell culture experiments with human umbilical vein endothelial cells (HUVECs), PU-WS13 effectively blocked the binding of Grp94 to IgG and inhibited the formation of Grp94-IgG complexes. PU-WS13 stimulated Akt and VEGF pathways and displayed angiogenic-like effects. PU-WS13 activated the purinergic pathway and increased the expression of P2X7. Reference: Biochem Biophys Rep. 2019 Jul 3;19:100661. https://pubmed.ncbi.nlm.nih.gov/31317075/

In vivo activity:

In a 4T1 breast tumor-bearing BALB/c mice model, the inhibition of GRP94 with PU-WS13 induces a decrease in CD206-expressing M2-like macrophages in the tumor microenvironment of triple-negative breast cancer. High infiltration of CD206+ M2-like macrophages in the tumor microenvironment indicates poor prognosis and survival in triple-negative breast cancer patients. Reference: Cells. 2021 Dec 2;10(12):3393. https://pubmed.ncbi.nlm.nih.gov/34943901/

Preparing Stock Solutions

The following data is based on the product molecular weight 411.35 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

Formulation protocol:

1. Rothan HA, Zhong Y, Sanborn MA, Teoh TC, Ruan J, Yusof R, Hang J, Henderson MJ, Fang S. Small molecule grp94 inhibitors block dengue and Zika virus replication. Antiviral Res. 2019 Nov;171:104590. doi: 10.1016/j.antiviral.2019.104590. Epub 2019 Aug 14. PMID: 31421166; PMCID: PMC6801034. 2. Tramentozzi E, Finotti P. Effects of purine-scaffold inhibitors on HUVECs: Involvement of the purinergic pathway and interference with ATP. Implications for preventing the adverse effects of extracellular Grp94. Biochem Biophys Rep. 2019 Jul 3;19:100661. doi: 10.1016/j.bbrep.2019.100661. PMID: 31317075; PMCID: PMC6611975. 3. Fang J, Tong Y, Ji O, Wei S, Chen Z, Song A, Li P, Zhang Y, Zhang H, Ruan H, Ding F, Liu Y. Glycoprotein 96 in Peritoneal Dialysis Effluent-Derived Extracellular Vesicles: A Tool for Evaluating Peritoneal Transport Properties and Inflammatory Status. Front Immunol. 2022 Feb 10;13:824278. doi: 10.3389/fimmu.2022.824278. PMID: 35222405; PMCID: PMC8866190. 4. Bouchard A, Sikner H, Baverel V, Garnier AR, Monterrat M, Moreau M, Limagne E, Garrido C, Kohli E, Collin B, Bellaye PS. The GRP94 Inhibitor PU-WS13 Decreases M2-like Macrophages in Murine TNBC Tumors: A Pharmaco-Imaging Study with 99mTc-Tilmanocept SPECT. Cells. 2021 Dec 2;10(12):3393. doi: 10.3390/cells10123393. PMID: 34943901; PMCID: PMC8699502.

In vitro protocol:

In vivo protocol:

1. Fang J, Tong Y, Ji O, Wei S, Chen Z, Song A, Li P, Zhang Y, Zhang H, Ruan H, Ding F, Liu Y. Glycoprotein 96 in Peritoneal Dialysis Effluent-Derived Extracellular Vesicles: A Tool for Evaluating Peritoneal Transport Properties and Inflammatory Status. Front Immunol. 2022 Feb 10;13:824278. doi: 10.3389/fimmu.2022.824278. PMID: 35222405; PMCID: PMC8866190. 2. Bouchard A, Sikner H, Baverel V, Garnier AR, Monterrat M, Moreau M, Limagne E, Garrido C, Kohli E, Collin B, Bellaye PS. The GRP94 Inhibitor PU-WS13 Decreases M2-like Macrophages in Murine TNBC Tumors: A Pharmaco-Imaging Study with 99mTc-Tilmanocept SPECT. Cells. 2021 Dec 2;10(12):3393. doi: 10.3390/cells10123393. PMID: 34943901; PMCID: PMC8699502.

1: Wang F, Baverel V, Chaumonnot K, Bourragat A, Bellenger J, Bellenger S, Zhou W, Narce M, Garrido C, Kohli E. The endoplasmic reticulum stress protein GRP94 modulates cathepsin L activity in M2 macrophages in conditions of obesity- associated inflammation and contributes to their pro-inflammatory profile. Int J Obes (Lond). 2024 Jun;48(6):830-840. doi: 10.1038/s41366-024-01478-7. Epub 2024 Feb 13. PMID: 38351251. 2: Huang X, Zhang W, Yang N, Zhang Y, Qin T, Ruan H, Zhang Y, Tian C, Mo X, Tang W, Liu J, Zhang B. Identification of HSP90B1 in pan-cancer hallmarks to aid development of a potential therapeutic target. Mol Cancer. 2024 Jan 20;23(1):19. doi: 10.1186/s12943-023-01920-w. PMID: 38243263; PMCID: PMC10799368. 3: Castelli M, Yan P, Rodina A, Digwal CS, Panchal P, Chiosis G, Moroni E, Colombo G. How aberrant N-glycosylation can alter protein functionality and ligand binding: An atomistic view. Structure. 2023 Aug 3;31(8):987-1004.e8. doi: 10.1016/j.str.2023.05.017. Epub 2023 Jun 20. PMID: 37343552; PMCID: PMC10526633. 4: Khilji MS, Faridi P, Pinheiro-Machado E, Hoefner C, Dahlby T, Aranha R, Buus S, Nielsen M, Klusek J, Mandrup-Poulsen T, Pandey K, Purcell AW, Marzec MT. Defective Proinsulin Handling Modulates the MHC I Bound Peptidome and Activates the Inflammasome in β-Cells. Biomedicines. 2022 Mar 30;10(4):814. doi: 10.3390/biomedicines10040814. PMID: 35453564; PMCID: PMC9024965. 5: Fang J, Tong Y, Ji O, Wei S, Chen Z, Song A, Li P, Zhang Y, Zhang H, Ruan H, Ding F, Liu Y. Glycoprotein 96 in Peritoneal Dialysis Effluent-Derived Extracellular Vesicles: A Tool for Evaluating Peritoneal Transport Properties and Inflammatory Status. Front Immunol. 2022 Feb 10;13:824278. doi: 10.3389/fimmu.2022.824278. PMID: 35222405; PMCID: PMC8866190. 6: Bouchard A, Sikner H, Baverel V, Garnier AR, Monterrat M, Moreau M, Limagne E, Garrido C, Kohli E, Collin B, Bellaye PS. The GRP94 Inhibitor PU-WS13 Decreases M2-like Macrophages in Murine TNBC Tumors: A Pharmaco-Imaging Study with 99mTc-Tilmanocept SPECT. Cells. 2021 Dec 2;10(12):3393. doi: 10.3390/cells10123393. PMID: 34943901; PMCID: PMC8699502. 7: Ratna A, Lim A, Li Z, Argemi J, Bataller R, Chiosis G, Mandrekar P. Myeloid Endoplasmic Reticulum Resident Chaperone GP96 Facilitates Inflammation and Steatosis in Alcohol-Associated Liver Disease. Hepatol Commun. 2021 May 22;5(7):1165-1182. doi: 10.1002/hep4.1713. PMID: 34278167; PMCID: PMC8279472. 8: Yan P, Patel HJ, Sharma S, Corben A, Wang T, Panchal P, Yang C, Sun W, Araujo TL, Rodina A, Joshi S, Robzyk K, Gandu S, White JR, de Stanchina E, Modi S, Janjigian YY, Hill EG, Liu B, Erdjument-Bromage H, Neubert TA, Que NLS, Li Z, Gewirth DT, Taldone T, Chiosis G. Molecular Stressors Engender Protein Connectivity Dysfunction through Aberrant N-Glycosylation of a Chaperone. Cell Rep. 2020 Jun 30;31(13):107840. doi: 10.1016/j.celrep.2020.107840. PMID: 32610141; PMCID: PMC7372946. 9: Rothan HA, Zhong Y, Sanborn MA, Teoh TC, Ruan J, Yusof R, Hang J, Henderson MJ, Fang S. Small molecule grp94 inhibitors block dengue and Zika virus replication. Antiviral Res. 2019 Nov;171:104590. doi: 10.1016/j.antiviral.2019.104590. Epub 2019 Aug 14. PMID: 31421166; PMCID: PMC6801034. 10: Tramentozzi E, Finotti P. Effects of purine-scaffold inhibitors on HUVECs: Involvement of the purinergic pathway and interference with ATP. Implications for preventing the adverse effects of extracellular Grp94. Biochem Biophys Rep. 2019 Jul 3;19:100661. doi: 10.1016/j.bbrep.2019.100661. PMID: 31317075; PMCID: PMC6611975.