MedKoo Cat#: 578350 | Name: LCL-161 hemihydrate

Description:

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

LCL-161 hemihydrate is a SMAC mimetic.

Chemical Structure

LCL-161 hemihydrate
LCL-161 hemihydrate
CAS#1263876-34-1 (hydrate)

Theoretical Analysis

MedKoo Cat#: 578350

Name: LCL-161 hemihydrate

CAS#: 1263876-34-1 (hydrate)

Chemical Formula: C52H68F2N8O7S2

Exact Mass: 1018.4620

Molecular Weight: 1019.28

Elemental Analysis: C, 61.28; H, 6.72; F, 3.73; N, 10.99; O, 10.99; S, 6.29

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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Synonym
LCL-161 hemihydrate; LCL 161 hemihydrate; LCL161 hemihydrate
IUPAC/Chemical Name
(S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(4-fluorobenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide hydrate
InChi Key
XRUNRQMZUXENTM-FKTCFRFMSA-N
InChi Code
InChI=1S/2C26H33FN4O3S.H2O/c2*1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18;/h2*10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33);1H2/t2*16-,21-,22-;/m00./s1
SMILES Code
O.CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc(cs3)C(=O)c4ccc(F)cc4.CN[C@@H](C)C(=O)N[C@@H](C5CCCCC5)C(=O)N6CCC[C@H]6c7nc(cs7)C(=O)c8ccc(F)cc8
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 1,019.28 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. Craver BM, Nguyen TK, Nguyen J, Nguyen H, Huynh C, Morse SJ, Fleischman AG. The SMAC mimetic LCL-161 selectively targets JAK2V617F mutant cells. Exp Hematol Oncol. 2020 Jan 2;9:1. doi: 10.1186/s40164-019-0157-6. PMID: 31908904; PMCID: PMC6941266.