MedKoo Cat#: 464922 | Name: WRX606

Description:

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

WRX606 is a nonrapalog inhibitor. WRX606 formed a ternary complex with FK506-binding protein-12 (FKBP12) and FKBP−rapamycin-binding (FRB) domain of mTOR, resulting in the allosteric inhibition of mTORC1. WRX606 inhibited the phosphorylation of not only the ribosomal protein S6 kinase 1 (S6K1) but also eIF4E-binding protein-1 (4E-BP1). Hence, WRX606 efficiently suppressed tumor growth in mice without promotion of metastasis. These results suggest that WRX606 is a potent lead compound for developing anticancer drugs discovered by in silico and in cell methods.

Chemical Structure

WRX606
WRX606
CAS#899937-47-4

Theoretical Analysis

MedKoo Cat#: 464922

Name: WRX606

CAS#: 899937-47-4

Chemical Formula: C28H25ClN4O6

Exact Mass: 548.1463

Molecular Weight: 548.98

Elemental Analysis: C, 61.26; H, 4.59; Cl, 6.46; N, 10.21; O, 17.49

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.
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Related CAS #
No Data
Synonym
WRX606; WRX606; WRX606;
IUPAC/Chemical Name
N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(1-(2-((3-chlorophenyl)amino)-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)butanamide
InChi Key
AVCWUERYLDROHZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C28H25ClN4O6/c29-19-5-3-6-20(14-19)31-26(35)16-33-22-8-2-1-7-21(22)27(36)32(28(33)37)12-4-9-25(34)30-15-18-10-11-23-24(13-18)39-17-38-23/h1-3,5-8,10-11,13-14H,4,9,12,15-17H2,(H,30,34)(H,31,35)
SMILES Code
O=C(NC1=CC=CC(Cl)=C1)CN(C2=CC=CC=C2C(N3CCCC(NCC4=CC=C(OCO5)C5=C4)=O)=O)C3=O
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

Preparing Stock Solutions

The following data is based on the product molecular weight 548.98 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: Shams R, Matsukawa A, Ochi Y, Ito Y, Miyatake H. In Silico and In Cell Hybrid Selection of Nonrapalog Ligands to Allosterically Inhibit the Kinase Activity of mTORC1. J Med Chem. 2021 Jun 30. doi: 10.1021/acs.jmedchem.1c00536. Epub ahead of print. PMID: 34191518.