WRX606

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

Hodoodo CAT#: H464922

CAS#: 899937-47-4

Description: 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

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WRX606
CAS# 899937-47-4
Instruction

Theoretical Analysis

Hodoodo Cat#: H464922
Name: WRX606
CAS#: 899937-47-4
Chemical Formula: C28H25ClN4O6
Exact Mass: 548.15
Molecular Weight: 548.980
Elemental Analysis: C, 61.26; H, 4.59; Cl, 6.46; N, 10.21; O, 17.49

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.

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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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.