MedKoo Cat#: 530513 | Name: NEU-1045

Description:

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

NEU-1045 is a T. brucei proliferation inhibitor, and is a promising lead with cross-pathogen activity. NEU-1045 inhibited T. brucei, T. cruzi, and L. major proliferation with good potency (T. brucei EC50 = 0.37 μM; T. cruzi EC50 = 2.8 μM; L. major EC50 = 1.2 μM). Human African trypanosomiasis (HAT), Chagas disease, and leishmaniasis present a significant burden across the developing world. Existing therapeutics for these protozoal neglected tropical diseases suffer from severe side effects and toxicity.

Chemical Structure

NEU-1045
NEU-1045
CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 530513

Name: NEU-1045

CAS#: Unknown

Chemical Formula: C32H28FN3O4S

Exact Mass: 569.1785

Molecular Weight: 569.65

Elemental Analysis: C, 67.47; H, 4.95; F, 3.34; N, 7.38; O, 11.23; S, 5.63

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
NEU-1045; NEU 1045; NEU1045.
IUPAC/Chemical Name
N-(4-((3-fluorobenzyl)oxy)phenyl)-6-(4-(morpholinosulfonyl)phenyl)quinolin-4-amine
InChi Key
JAHULYBEHCDIPN-UHFFFAOYSA-N
InChi Code
InChI=1S/C32H28FN3O4S/c33-26-3-1-2-23(20-26)22-40-28-9-7-27(8-10-28)35-32-14-15-34-31-13-6-25(21-30(31)32)24-4-11-29(12-5-24)41(37,38)36-16-18-39-19-17-36/h1-15,20-21H,16-19,22H2,(H,34,35)
SMILES Code
FC1=CC(COC(C=C2)=CC=C2NC3=CC=NC(C3=C4)=CC=C4C5=CC=C(S(N6CCOCC6)(=O)=O)C=C5)=CC=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
>2 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 569.65 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
Antiparasitic Lead Discovery: Toward Optimization of a Chemotype with Activity Against Multiple Protozoan Parasites William DevineSarah M. ThomasJessey ErathKelly A. BachovchinPatricia J. LeeSusan E. LeedAna RodriguezRichard J. SciottiKojo Mensa-Wilmotand Michael P. Pollastri Publication Date (Web): February 5, 2017 (Letter) DOI: 10.1021/acsmedchemlett.7b00011