MedKoo Cat#: 121214 | Name: LIJTF500025

Description:

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

LIJTF500025 is a LIMK inhibitor. LIJTF500025 is a potent and selective inhibitor suitable for use as in vitro and in vivo pharmacological tools for the study of LIMK function in cell biology.

Chemical Structure

LIJTF500025
LIJTF500025
CAS#2838087-03-7

Theoretical Analysis

MedKoo Cat#: 121214

Name: LIJTF500025

CAS#: 2838087-03-7

Chemical Formula: C24H22ClN5O4

Exact Mass: 479.1360

Molecular Weight: 479.92

Elemental Analysis: C, 60.06; H, 4.62; Cl, 7.39; N, 14.59; O, 13.33

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
LIJTF500025; LIJTF-500025; LIJTF 500025
IUPAC/Chemical Name
(S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide
InChi Key
KIBQDIDFPAQGOU-SFHVURJKSA-N
InChi Code
InChI=1S/C24H22ClN5O4/c1-28-17-8-7-15(25)11-19(17)34-13-18(23(28)32)29-10-9-16-20(24(29)33)27-30(21(16)22(26)31)12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H2,26,31)/t18-/m0/s1
SMILES Code
CN1C2=CC=C(Cl)C=C2OC[C@H](N3C(C4=NN(CC5=CC=CC=C5)C(C(N)=O)=C4CC3)=O)C1=O
Appearance
To be determined
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 479.92 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
Collins R, Lee H, Jones DH, Elkins JM, Gillespie JA, Thomas C, Baldwin AG, Jones K, Waters L, Paine M, Atack JR, Ward SE, Grubisha O, Foley DW. Comparative Analysis of Small-Molecule LIMK1/2 Inhibitors: Chemical Synthesis, Biochemistry, and Cellular Activity. J Med Chem. 2022 Oct 27;65(20):13705-13713. doi: 10.1021/acs.jmedchem.2c00751. Epub 2022 Oct 7. PMID: 36205722; PMCID: PMC9619402.