WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H465653
CAS#: unknown
Description: WS-898 is a highly effective ABCB1 inhibitor capable of reversing paclitaxel (PTX) resistance in drug-resistant SW620/Ad300, KB-C2, and HEK293/ABCB1 cells (IC50 = 5.0, 3.67, and 3.68 nM, respectively), more potent than verapamil and zosuquidar. WS-898 inhibited the efflux function of ABCB1, thus leading to decreased efflux and increased intracellular PTX concentration in SW620/Ad300 cells. The cellular thermal shift assay indicated direct engagement of WS-898 to ABCB1. Furthermore, WS-898 stimulated the ATPase activity of ABCB1 but had minimal effects on cytochrome P450 3A4 (CYP3A4). Importantly, WS-898 increased PTX sensitization in vivo without obvious toxicity.
Hodoodo Cat#: H465653
Name: WS-898
CAS#: unknown
Chemical Formula: C33H25N7OS
Exact Mass: 567.18
Molecular Weight: 567.671
Elemental Analysis: C, 69.82; H, 4.44; N, 17.27; O, 2.82; S, 5.65
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Synonym: WS-898; WS898; WS 898;
IUPAC/Chemical Name: (E)-1-(4-((2-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino)phenyl)-3-(naphthalen-2-yl)prop-2-en-1-one
InChi Key: WGQWRCAZEPAXRA-GZTJUZNOSA-N
InChi Code: InChI=1S/C33H25N7OS/c1-21-18-31(40-32(34-21)38-33(39-40)42-20-30-36-27-8-4-5-9-28(27)37-30)35-26-15-13-24(14-16-26)29(41)17-11-22-10-12-23-6-2-3-7-25(23)19-22/h2-19,35H,20H2,1H3,(H,36,37)/b17-11+
SMILES Code: O=C(/C=C/C1=CC=C(C=CC=C2)C2=C1)C3=CC=C(NC4=CC(C)=NC5=NC(SCC6=NC7=C(C=CC=C7)N6)=NN54)C=C3
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: To be determined
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:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 567.67 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: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Wang S, Wang SQ, Teng QX, Lei ZN, Chen ZS, Chen XB, Liu HM, Yu B. Discovery of the Triazolo[1,5-a]Pyrimidine-Based Derivative WS-898 as a Highly Efficacious and Orally Bioavailable ABCB1 Inhibitor Capable of Overcoming Multidrug Resistance. J Med Chem. 2021 Nov 1. doi: 10.1021/acs.jmedchem.1c01498. Epub ahead of print. PMID: 34723530.
