MedKoo Cat#: 464692 | Name: MLS-0045954

Description:

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

MLS-0045954 is a purine-based LMPTP inhibitor.

Chemical Structure

MLS-0045954
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 464692

Name: MLS-0045954

CAS#: unknown

Chemical Formula: C17H13Cl2N5O

Exact Mass: 373.0497

Molecular Weight: 374.23

Elemental Analysis: C, 54.56; H, 3.50; Cl, 18.95; N, 18.71; O, 4.28

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
MLS-0045954; MLS0045954; MLS 0045954;
IUPAC/Chemical Name
3-(2,6-dichlorobenzyl)-N-(furan-2-ylmethyl)-3H-purin-6-amine
InChi Key
XJMKLSBGAITQGU-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H13Cl2N5O/c18-13-4-1-5-14(19)12(13)8-24-10-23-16(15-17(24)22-9-21-15)20-7-11-3-2-6-25-11/h1-6,9-10,20H,7-8H2
SMILES Code
ClC1=CC=CC(Cl)=C1CN2C=NC(NCC3=CC=CO3)=C4C2=NC=N4
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 374.23 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: Stanford SM, Diaz MA, Ardecky RJ, Zou J, Roosild T, Holmes ZJ, Nguyen TP, Hedrick MP, Rodiles S, Guan A, Grotegut S, Santelli E, Chung TDY, Jackson MR, Bottini N, Pinkerton AB. Discovery of Orally Bioavailable Purine-Based Inhibitors of the Low-Molecular-Weight Protein Tyrosine Phosphatase. J Med Chem. 2021 Apr 29. doi: 10.1021/acs.jmedchem.0c02126. Epub ahead of print. PMID: 33914534.