MedKoo Cat#: 4101001 | Name: LY6

Description:

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

LY6 is a potent and selective SHP2 inhibitor. LY6 inhibited SHP2 with an IC50 value of 9.8 μM, 7-fold more selective for SHP2 than the highly related SHP1. Fluorescence titration, thermal shift, and microscale thermophoresis quantitative binding assays confirmed its direct binding to SHP2. LY6 has a potential to serve as a lead compound for further optimization studies to develop novel anti-SHP2 therapeutic agents.

Chemical Structure

LY6
LY6
CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 4101001

Name: LY6

CAS#: Unknown

Chemical Formula: C30H27Cl2N3O4

Exact Mass: 563.1379

Molecular Weight: 564.46

Elemental Analysis: C, 63.84; H, 4.82; Cl, 12.56; N, 7.44; O, 11.34

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
LY6; LY-6; LY 6;
IUPAC/Chemical Name
(E)-1-(1-(5-(3-(2,4-dichlorophenyl)acryloyl)-2-ethoxy-4-hydroxybenzyl)-1,2,5,6-tetrahydropyridin-3-yl)-1H-benzo[d]imidazol-2(3H)-one
InChi Key
KXGGLZVQMDYPEO-ZRDIBKRKSA-N
InChi Code
InChI=1S/C30H27Cl2N3O4/c1-2-39-29-16-28(37)23(27(36)12-10-19-9-11-21(31)15-24(19)32)14-20(29)17-34-13-5-6-22(18-34)35-26-8-4-3-7-25(26)33-30(35)38/h3-4,6-12,14-16,37H,2,5,13,17-18H2,1H3,(H,33,38)/b12-10+
SMILES Code
O=C1N(C2=CCCN(CC3=CC(C(/C=C/C4=CC=C(Cl)C=C4Cl)=O)=C(O)C=C3OCC)C2)C5=CC=CC=C5N1
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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 564.46 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
Small Molecule Inhibitor that Stabilizes the Autoinhibited Conformation of the Oncogenic Tyrosine Phosphatase SHP2 Xiaoqin Wu, Gang Xu, Xiaobo Li, Weiren Xu, Qianjin Li, Wei Liu, Karen A. Kirby, Mignon L. Loh, Jun Li, Stefan G. Sarafianos, and Cheng-Kui Qu Publication Date (Web): November 20, 2018 (Article) DOI: 10.1021/acs.jmedchem.8b00513