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Home Other Building Blocks LCL161

LCL161

CAS No.:
1005342-46-0
Catalog Number:
AG00029J
Molecular Formula:
C26H33FN4O3S
Molecular Weight:
500.6286
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$223
- +
10mg
99%
1 week
United States
$273
- +
50mg
99%
1 week
United States
$557
- +
100mg
99%
1 week
United States
$857
- +
Product Description
Catalog Number:
AG00029J
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
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  
Literature
Title Journal
Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain. Journal of medicinal chemistry 20131024
Inhibition of Bcl-2 improves effect of LCL161, a SMAC mimetic, in hepatocellular carcinoma cells. Biochemical pharmacology 20120801
Properties