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β-Amyloid (1-17)

CAT: 0804-HY-P1772Size: 1 EachDry Ice: NoHazardous: No
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Description
β-Amyloid (1-17) is a peptide of β-Amyloid, stabilizes the fibres and plays a role in Aβ fibre formation[1].
CAS Number
186319-72-2
UNSPSC
12352209
Target
Amyloid-β
Type
Peptides
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/beta-amyloid-1-17.html
Solubility
10 mM in DMSO
Smiles
OC(C=C1)=CC=C1C[C@H](NC(CNC([C@H](CO)NC([C@H](CC(O)=O)NC([C@@H](NC([C@H](CCCNC(N)=N)NC([C@@H](NC([C@H](CCC(O)=O)NC([C@H](C)NC([C@@H](N)CC(O)=O)=O)=O)=O)CC2=CC=CC=C2)=O)=O)CC3=CN=CN3)=O)=O)=O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](CC4=CN=CN4)C(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCCN)C(N[C@H](C(O)=O)CC(C)C)=O)=O)=O)CC5=CN=CN5)=O)=O)=O)=O
Molecular Formula
C90H130N28O29
Molecular Weight
2068.20
References & Citations
[1]Shi JM, et al. Dissecting the behaviour of β-amyloid peptide variants during oligomerization and fibrillation. Pept Sci. 2017 Nov;23 (11) :810-817.|[2]Wei-wei Zhou, et al. Decreasing oxidative stress and neuroinflammation with a multifunctional peptide rescues memory deficits in mice with Alzheimer disease. Free Radic Biol Med. 2014 Sep;74:50-63.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

H-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly-Tyr-Glu-Val-His-His-Gln-Lys-Leu-OH
CAS Number186319-72-2
PubChem CID172653413
IUPAC Name(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC90H130N28O29
Molecular Weight2068.2
XLogP-11.4
Topological Polar Surface Area936
Hydrogen Bond Donor Count32
Hydrogen Bond Acceptor Count35
Rotatable Bond Count69
Heavy Atom Count147
Formal Charge0
Complexity4470
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CC5=CN=CN5)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C90H130N28O29/c1-44(2)28-65(89(146)147)116-78(135)54(14-9-10-26-91)107-79(136)56(20-23-67(93)121)109-84(141)61(31-49-36-96-41-101-49)113-86(143)63(33-51-38-98-43-103-51)115-88(145)73(45(3)4)118-81(138)58(22-25-70(125)126)110-82(139)59(30-48-16-18-52(120)19-17-48)105-68(122)39-100-76(133)66(40-119)117-87(144)64(35-72(129)130)114-85(142)62(32-50-37-97-42-102-50)112-77(134)55(15-11-27-99-90(94)95)108-83(140)60(29-47-12-7-6-8-13-47)111-80(137)57(21-24-69(123)124)106-74(131)46(5)104-75(132)53(92)34-71(127)128/h6-8,12-13,16-19,36-38,41-46,53-66,73,119-120H,9-11,14-15,20-35,39-40,91-92H2,1-5H3,(H2,93,121)(H,96,101)(H,97,102)(H,98,103)(H,100,133)(H,104,132)(H,105,122)(H,106,131)(H,107,136)(H,108,140)(H,109,141)(H,110,139)(H,111,137)(H,112,134)(H,113,143)(H,114,142)(H,115,145)(H,116,135)(H,117,144)(H,118,138)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,146,147)(H4,94,95,99)/t46-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,73-/m0/s1
InChIKey
UJCRQGHBKVEJLI-BIJHUKNISA-N
Chemical Structure
2D Structure
2D structure of H-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly-Tyr-Glu-Val-His-His-Gln-Lys-Leu-OH
CAS: 186319-72-2
CID: 172653413
Formula: C90H130N28O29
MW: 2068.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight2068.2
XLogP3-11.4
Hydrogen Bond Donor Count32
Hydrogen Bond Acceptor Count35
Rotatable Bond Count69
Exact Mass2066.9558502
Monoisotopic Mass2066.9558502
Topological Polar Surface Area936 Ų
Heavy Atom Count147
Formal Charge0
Complexity4470
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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