Home Other Building Blocks 1005342-46-0
1005342-46-0,MFCD23160049
Catalog No.:AA00026R
1005342-46-0 | LCL161
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
99%
1 week  
$241.00   $169.00
- +
10mg
99%
1 week  
$298.00   $209.00
- +
50mg
99%
1 week  
$622.00   $435.00
- +
100mg
99%
1 week  
$965.00   $675.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA00026R
Chemical Name:
LCL161
CAS Number:
1005342-46-0
Molecular Formula:
C26H33FN4O3S
Molecular Weight:
500.6286
MDL Number:
MFCD23160049
IUPAC Name:
(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
InChI:
InChI=1S/C26H33FN4O3S/c1-16(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/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1
InChI Key:
UFPFGVNKHCLJJO-SSKFGXFMSA-N
SMILES:
CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1scc(n1)C(=O)c1ccc(cc1)F)C1CCCCC1)C
UNII:
6TNS415Y3P
Properties
Computed Properties
 
Complexity:
757  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
500.226g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
500.633g/mol
Monoisotopic Mass:
500.226g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

Synonyms
 
LCL161 
LCL161 
Propanamide, N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-, (2S)-;Propanamide, N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-, (2S)- 
NVP-LCL161 
C26H33FN4O3S 
GTPL7912 
SCHEMBL1275369 
AOB4073 
EX-A533 
2508AH 
BDBM50441356 
MFCD23160049 
1005342-46-0 
s7009 
ZINC95929260 
CS-1630 
DB12085 
SB19313 
BC600325 
HY-15518 
SC-94311 
J3.566.398C 
A11928 
LCL-161 
Z-3226 
(S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(4-fluorobenzoyl)thiazol-2-yl)pyrrolidin-1 
(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylaminopropanamide 
Propanamide, N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-, (2S)- 
D0J7ZF 
A3541 
-yl)-2-oxoethyl)-2-(methylamino)propanamide 
LCL161, 98%, inhibitor of Apoptosis Protein (IAP) family of proteins - 100MG 100mg 
(S)-N-((S)-1-Cyclohexyl-2-{(S)-2-[4-(4-fluorobenzoyl)thiazol-2- yl]pyrrolidin-1-yl}-2-oxoethyl)-2-methylamino-propionamide 
LCL 161 
UNII-6TNS415Y3P 
6TNS415Y3P 
CHEMBL2431768 
(s)-n-((s)-1-cyclohexyl-2-((s)-2-(4-(4-fluorobenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide 
(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide 
Literature

Title: Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.

Journal: Journal of medicinal chemistry 20131024

Title: Inhibition of Bcl-2 improves effect of LCL161, a SMAC mimetic, in hepatocellular carcinoma cells.

Journal: Biochemical pharmacology 20120801

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