Ac-Ala-Ala-Val-Ala-Leu-Leu-Pro-Ala-Val-Leu-Leu-Ala-Leu-Leu-Ala-Pro-Ile-Glu-Thr-Asp-aldehyde
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Ac-Ala-Ala-Val-Ala-Leu-Leu-Pro-Ala-Val-Leu-Leu-Ala-Leu-Leu-Ala-Pro-Ile-Glu-Thr-Asp-aldehyde

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Ac-Ala-Ala-Val-Ala-Leu-Leu-Pro-Ala-Val-Leu-Leu-Ala-Leu-Leu-Ala-Pro-Ile-Glu-Thr-Asp-aldehyde, a potent and reversible caspase-8 inhibitor, enables cell permeability by linking to a nonpolar CPP corresponding to the Kaposi fibroblast growth factor (FGF) signaling peptide sequence.

Category
Peptide Inhibitors
Catalog number
BAT-014679
CAS number
886462-83-5
Molecular Formula
C95H162N20O26
Molecular Weight
2000.42
IUPAC Name
(4S)-4-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-5-[[(2S,3R)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Synonyms
Caspase-8 Inhibitor I, Cell Permeable; N-Acetyl-L-alanyl-L-alanyl-L-valyl-L-alanyl-L-leucyl-L-leucyl-L-prolyl-L-alanyl-L-valyl-L-leucyl-L-leucyl-L-alanyl-L-leucyl-L-leucyl-L-alanyl-L-prolyl-L-isoleucyl-L-α-glutamyl-N-[(2S)-1-carboxy-3-oxo-2-propanyl]-L-threoninamide; N-Acetyl-Ala-Ala-Val-Ala-Leu-Leu-Pro-Ala-Val-Leu-Leu-Ala-Leu-Leu-Ala-Pro-Ile-Glu-Thr-Asp-al; L-Threoninamide, N-acetyl-L-alanyl-L-alanyl-L-valyl-L-alanyl-L-leucyl-L-leucyl-L-prolyl-L-alanyl-L-valyl-L-leucyl-L-leucyl-L-alanyl-L-leucyl-L-leucyl-L-alanyl-L-prolyl-L-isoleucyl-L-α-glutamyl-N-[(1S)-2-carboxy-1-formylethyl]-
Appearance
White Lyophilized Powder
Purity
≥95%
Density
1.199±0.06 g/cm3
Boiling Point
1985.8±65.0°C at 760 mmHg
Sequence
Ac-AAVALLPAVLLALLAPIETD-CHO
Storage
Store at -20°C
Solubility
Soluble in DMSO, Water
InChI
InChI=1S/C95H162N20O26/c1-27-52(18)75(92(138)103-62(32-33-71(119)120)82(128)113-76(59(25)117)93(139)102-61(43-116)42-72(121)122)112-89(135)70-31-28-34-114(70)94(140)58(24)101-84(130)64(37-45(4)5)107-85(131)65(38-46(6)7)104-78(124)54(20)98-83(129)63(36-44(2)3)106-86(132)67(40-48(10)11)108-91(137)74(51(16)17)111-81(127)57(23)99-88(134)69-30-29-35-115(69)95(141)68(41-49(12)13)109-87(133)66(39-47(8)9)105-79(125)55(21)100-90(136)73(50(14)15)110-80(126)56(22)97-77(123)53(19)96-60(26)118/h43-59,61-70,73-76,117H,27-42H2,1-26H3,(H,96,118)(H,97,123)(H,98,129)(H,99,134)(H,100,136)(H,101,130)(H,102,139)(H,103,138)(H,104,124)(H,105,125)(H,106,132)(H,107,131)(H,108,137)(H,109,133)(H,110,126)(H,111,127)(H,112,135)(H,113,128)(H,119,120)(H,121,122)/t52-,53-,54-,55-,56-,57-,58-,59+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,73-,74-,75-,76-/m0/s1
InChI Key
JTCOYJXFAGGBGS-IVGKSQGSSA-N
Canonical SMILES
CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C=O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C
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