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ChemicalBook--->CAS DataBase List--->1005342-46-0

1005342-46-0

1005342-46-0 Structure

1005342-46-0 Structure
IdentificationBack Directory
[Name]

LCL-161
[CAS]

1005342-46-0
[Synonyms]

CS-987
LCL-161
LCL-161; LCL161
LCL-161 USP/EP/BP
LCL161, inhibitor of Apoptosis Protein (IAP) family of proteins
LCL161, 98%, inhibitor of Apoptosis Protein (IAP) family of proteins
(S)-N-((S)-1-Cyclohexyl-2-((S)-2-(4-(4-fluorobenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)
N-[(1S)-1-Cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-1-pyrrolidinyl}-2-oxoethyl]-N2-MethylalaninaMide
(2S)-N-[(1S)-1-Cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-propanamide
N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-(2S)-propanamide
Propanamide, N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-, (2S)-
(2S)-N-[(1S)-1-Cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-propanamide LCL 161
[Molecular Formula]

C26H33FN4O3S
[MDL Number]

MFCD23160049
[MOL File]

1005342-46-0.mol
[Molecular Weight]

500.629
Chemical PropertiesBack Directory
[Boiling point ]

713.7±60.0 °C(Predicted)
[density ]

1.245±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

≥25.05 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
[form ]

solid
[pka]

14.25±0.46(Predicted)
[color ]

White to yellow
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[RIDADR ]

3077
[HS Code ]

29341000
Hazard InformationBack Directory
[Description]

LCL-161 is a small molecule Smac mimetic that inhibits multiple inhibitor of apoptosis (IAP) family proteins.
[Uses]

LCL 161 is a second mitochondria-derived activator of caspases (SMAC) inhibitor used to prolong patient survival by increasing apoptosis of anti-tumor drugs.
[in vivo]

Tumor-bearing mice are treated with vehicle or LCL161 p.o. at a dose of 50 mg/kg/day, or SC-2001 p.o. at a dose of 10 mg/kg/day, 5 days a week, or in combination for the duration of the study. Tumor growth is significantly inhibited by co-treatment with SC2001 and LCL161 and tumor size in the co-treatment group is only one third of that of the control group at the end of the study[2]. LCL161 is a first-in-class oral Smac mimetic shown to induce degradation of cIAP1 and cleavage of caspase 3 in mouse xenograft models[4].

Spectrum DetailBack Directory
[Spectrum Detail]

LCL-161(1005342-46-0)MS
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