BGC > Product Search > tert-Butyl ((2S,3R,5R)-6-(((S)-1-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)carbamate | 292632-98-5

Molecular Formula: C39H52N4O6
Molecular Weight: 672.862
WGKGermany: 3
HS Code: 29242990

Molecular Formula: C39H52N4O6
Molecular Weight: 672.862
WGKGermany: 3
HS Code: 29242990

Description :
L-685,458 is a potent and selective inhibitor of γ-secretase (IC50 = 17 nM) that shows 50-fold selectivity over a variety of aspartyl proteases. It also inhibits Aβ40 and Aβ42 peptides (in human neuroblastoma cells: IC50 = 48 and 67 nM respectively).

• Molecular Weight :672.85
• Purity :> 98%

Molecular Formula :
C39H52N4O6
Canonical SMILES :
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O
InChI :
InChI=1S/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34-/m1/s1
InChIKey :
MURCDOXDAHPNRQ-ZJKZPDEISA-N
Solubility :
Soluble to 15 mM in DMSO.
Appearance :
White Solid
Application :
Gamma Secretase Inhibitors and Modulators
Storage : Store in a cool and dry place and at 0 - 4℃ for short term (days to weeks) or -32℃ for long term (months to years).
Synonyms :
L-685458; tert-butyl N-[(2S,3R,5R)-6-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate

More details are to be found here

Smile code:
O=C(N)[C@H](CC1=CC=CC=C1)NC([C@H](CC(C)C)NC([C@H](CC2=CC=CC=C2)C[C@@H](O)[C@@H](NC(OC(C)(C)C)=O)CC3=CC=CC=C3)=O)=O
MDL Number:
MFCD03093402
Purity :
98%
Available in stock:
10.67 g

More details are to be found here

Smile code:
O=C(N)[C@H](CC1=CC=CC=C1)NC([C@H](CC(C)C)NC([C@H](CC2=CC=CC=C2)C[C@@H](O)[C@@H](NC(OC(C)(C)C)=O)CC3=CC=CC=C3)=O)=O
MDL Number:
MFCD03093402
Purity :
98%
Available in stock:
10.67 g

More details are to be found here

Smile code:
O=C(N)[C@H](CC1=CC=CC=C1)NC([C@H](CC(C)C)NC([C@H](CC2=CC=CC=C2)C[C@@H](O)[C@@H](NC(OC(C)(C)C)=O)CC3=CC=CC=C3)=O)=O
MDL Number:
MFCD03093402
Purity :
98%
Available in stock:
10.67 g

More details are to be found here

Smile code:
O=C(N)[C@H](CC1=CC=CC=C1)NC([C@H](CC(C)C)NC([C@H](CC2=CC=CC=C2)C[C@@H](O)[C@@H](NC(OC(C)(C)C)=O)CC3=CC=CC=C3)=O)=O
MDL Number:
MFCD03093402
Purity :
98%
Available in stock:
10.67 g

More details are to be found here

Smile code:
O=C(N)[C@H](CC1=CC=CC=C1)NC([C@H](CC(C)C)NC([C@H](CC2=CC=CC=C2)C[C@@H](O)[C@@H](NC(OC(C)(C)C)=O)CC3=CC=CC=C3)=O)=O
MDL Number:
MFCD03093402
Purity :
98%
Available in stock:
10.67 g

More details are to be found here