LU-002i | CAS#2322333-96-8 | β2i-specific inhibitor

MedKoo Cat#: 565697 | Name: LU-002i

Description:

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

LU-002i is a novel β2i-specific inhibitor, displaying moderate trypanocidal activity

Chemical Structure

LU-002i

CAS#2322333-96-8

Theoretical Analysis

MedKoo Cat#: 565697

Name: LU-002i

CAS#: 2322333-96-8

Chemical Formula: C35H52N4O7

Exact Mass: 640.3836

Molecular Weight: 640.82

Elemental Analysis: C, 65.60; H, 8.18; N, 8.74; O, 17.48

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

LU-002i; LU 002i; LU002i

IUPAC/Chemical Name

(S)-N-((S)-3-((1S,4aR,8aR)-Decahydronaphthalen-1-yl)-1-((R)-2-methyloxiran-2-yl)-1-oxopropan-2-yl)-3-(4-methoxyphenyl)-2-((S)-2-(2-morpholinoacetamido)propanamido)-propanamide

InChi Key

IJXUVRJYZJRYCL-DCGCUPEZSA-N

InChi Code

InChI=1S/C35H52N4O7/c1-23(36-31(40)21-39-15-17-45-18-16-39)33(42)38-30(19-24-11-13-27(44-3)14-12-24)34(43)37-29(32(41)35(2)22-46-35)20-26-9-6-8-25-7-4-5-10-28(25)26/h11-14,23,25-26,28-30H,4-10,15-22H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t23-,25+,26-,28+,29-,30-,35+/m0/s1

SMILES Code

O=C(N[C@@H](C[C@@H]1CCC[C@@]2([H])CCCC[C@@]12[H])C([C@]3(C)OC3)=O)[C@@H](NC([C@@H](NC(CN4CCOCC4)=O)C)=O)CC5=CC=C(OC)C=C5

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

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 640.82 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.

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: Xin BT, Huber EM, de Bruin G, Heinemeyer W, Maurits E, Espinal C, Du Y, Janssens M, Weyburne ES, Kisselev AF, Florea BI, Driessen C, van der Marel GA, Groll M, Overkleeft HS. Structure-Based Design of Inhibitors Selective for Human Proteasome β2c or β2i Subunits. J Med Chem. 2019 Feb 14;62(3):1626-1642. doi: 10.1021/acs.jmedchem.8b01884. Epub 2019 Feb 5. PubMed PMID: 30657666; PubMed Central PMCID: PMC6378654. 2: Steverding D, Florea BI, Overkleeft HS. Trypanosoma brucei: β2-selective proteasome inhibitors do not block the proteasomal trypsin-like activity but are trypanocidal. Mol Biochem Parasitol. 2019 Jan;227:1-4. doi: 10.1016/j.molbiopara.2018.11.002. Epub 2018 Nov 13. PubMed PMID: 30444977.