LCL 161, phenol

Cas：2095244-42-9

Product Information：

LCL 161, phenol is a functionalized IAP ligand for PROTACs.

Chemical Formula: C31H42N4O6S

Exact Mass: 598.2825

Molecular Weight: 598.759

Elemental Analysis: C, 62.19; H, 7.07; N, 9.36; O, 16.03; S, 5.35

Synonym: 

cIAP1 ligand 1

SCHEMBL21472349

HY-128808

CS-0100093

2095244-42-9

tert-Butyl ((S)-1-(((S)-1-cyclohexyl-2-((S)-2-(4-(3-hydroxybenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)amino)-1-oxopropan-2-yl)(methyl)carbamate

Chemical Name:

tert-butyl((S)-1-(((S)-1-cyclohexyl-2-((S)-2-(4-(3-hydroxybenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)amino)-1-oxopropan-2-yl)(methyl)carbamate

InChi Key:

SPXBMEKMIPOEMC-LQGLAIQGSA-N

InChi Code: InChI=1S/C31H42N4O6S/c1-19(34(5)30(40)41-31(2,3)4)27(38)33-25(20-11-7-6-8-12-20)29(39)35-16-10-15-24(35)28-32-23(18-42-28)26(37)21-13-9-14-22(36)17-21/h9,13-14,17-20,24-25,36H,6-8,10-12,15-16H2,1-5H3,(H,33,38)/t19-,24-,25-/m0/s1

Smiles Code:

OC1=CC(C(C2=CSC([C@@H]3CCCN3C([C@@H](NC([C@H](C)N(C)C(OC(C)(C)C)=O)=O)C4CCCCC4)=O)=N2)=O)=CC=C1

Technical Data：

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

References:

1. Shibata N, et al. Development of Protein Degradation Inducers of Androgen Receptor by Conjugation of Androgen Receptor Ligands and Inhibitor of Apoptosis Protein Ligands. J Med Chem. 2018 Jan 25;61(2):543-575.

Products are for research use only. Not for human use.