MedKoo Cat#: 463584 | Name: WS-691

Description:

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

WS-691 is a highly Potent and Orally Active ABCB1 Modulator. WS-691 significantly increased sensitization of ABCB1-overexpressed SW620/Ad300 cells to paclitaxel (PTX) (IC50 = 22.02 nM). WS-691 significantly increased the intracellular concentration of PTX and [3H]-PTX while decreasing the efflux of [3H]- PTX in SW620/Ad300 cells by inhibiting the efflux function of ABCB1. WS-691 could stabilize ABCB1 by directly binding to ABCB1 WS-691 increased the sensitivity of SW620/Ad300 cells to PTX in vivo without observed toxicity.

Chemical Structure

WS-691
WS-691
CAS#2035417-32-2

Theoretical Analysis

MedKoo Cat#: 463584

Name: WS-691

CAS#: 2035417-32-2

Chemical Formula: C20H16FN7S

Exact Mass: 405.1172

Molecular Weight: 405.46

Elemental Analysis: C, 59.25; H, 3.98; F, 4.69; N, 24.18; S, 7.91

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
Synonym
WS-691; WS691; WS 691;
IUPAC/Chemical Name
2-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-N-(4-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
InChi Key
ZGRDQSSNSDLZLJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H16FN7S/c1-12-10-18(23-14-8-6-13(21)7-9-14)28-19(22-12)26-20(27-28)29-11-17-24-15-4-2-3-5-16(15)25-17/h2-10,23H,11H2,1H3,(H,24,25)
SMILES Code
FC1=CC=C(NC2=CC(C)=NC3=NC(SCC4=NC(C=CC=C5)=C5N4)=NN32)C=C1
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
Soluble in DMSO
Shelf Life
>3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 405.46 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
1: Wang S, Wang SQ, Teng QX, Yang L, Lei ZN, Yuan XH, Huo JF, Chen XB, Wang M, Yu B, Chen ZS, Liu HM. Structure-Based Design, Synthesis, and Biological Evaluation of New Triazolo[1,5-a]Pyrimidine Derivatives as Highly Potent and Orally Active ABCB1 Modulators. J Med Chem. 2020 Dec 5. doi: 10.1021/acs.jmedchem.0c01741. Epub ahead of print. PMID: 33280384.