Pep 2-8 ammonium salt
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Pep 2-8 ammonium salt

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Pep 2-8 ammonium salt, a proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitor, restores LDL uptake in PCSK9-treated HepG2 cells. It is a potent inhibitor of PCSK9 binding to LDL receptors with an IC50 of 0.8 μM.

Category
Peptide Inhibitors
Catalog number
BAT-016321
Molecular Formula
C83H113N17O24
Molecular Weight
1732.91
Pep 2-8 ammonium salt
IUPAC Name
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;azane
Synonyms
Ac-Thr-Val-Phe-Thr-Ser-Trp-Glu-Glu-Tyr-Leu-Asp-Trp-Val-NH2.NH3; N-acetyl-L-threonyl-L-valyl-L-phenylalanyl-L-threonyl-L-seryl-L-tryptophyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-L-leucyl-L-alpha-aspartyl-L-tryptophyl-L-valinamide ammonium salt
Related CAS
1541011-97-5 (free base)
Purity
≥95%
Sequence
Ac-TVFTSWEEYLDWV-NH2.NH3
Storage
Store at -20°C
Solubility
Soluble in DMSO
InChI
InChI=1S/C83H110N16O24.H3N/c1-40(2)31-57(74(114)94-62(36-66(109)110)77(117)92-61(79(119)97-67(41(3)4)71(84)111)35-49-38-86-54-22-16-14-20-52(49)54)90-75(115)58(33-47-23-25-50(104)26-24-47)91-73(113)56(28-30-65(107)108)88-72(112)55(27-29-64(105)106)89-76(116)60(34-48-37-85-53-21-15-13-19-51(48)53)93-80(120)63(39-100)96-82(122)70(44(8)102)99-78(118)59(32-46-17-11-10-12-18-46)95-81(121)68(42(5)6)98-83(123)69(43(7)101)87-45(9)103;/h10-26,37-38,40-44,55-63,67-70,85-86,100-102,104H,27-36,39H2,1-9H3,(H2,84,111)(H,87,103)(H,88,112)(H,89,116)(H,90,115)(H,91,113)(H,92,117)(H,93,120)(H,94,114)(H,95,121)(H,96,122)(H,97,119)(H,98,123)(H,99,118)(H,105,106)(H,107,108)(H,109,110);1H3/t43-,44-,55+,56+,57+,58+,59+,60+,61+,62+,63+,67+,68+,69+,70+;/m1./s1
InChI Key
HWBNPPIQUAYIEP-VZPBCMDWSA-N
Canonical SMILES
CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C(C)C)C(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)C.N
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