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β-Amyloid (1-16)

CAT: 0804-HY-P1466-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P1466-01Size:1 mg
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Description
β-Amyloid (1-16) is a β-Amyloid protein fragment involved in metal binding. Beta-amyloid is a peptide that forms amyloid plaques in the brains of Alzheimer's disease (AD) patients.
CAS Number
131580-10-4
Product Name Alternative
Amyloid β-Protein (1-16)
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_1-16.html
Purity
99.98
Solubility
10 mM in H2O
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](C(O)=O)CCCCN)=O)=O)CC5=CN=CN5)=O)=O)=O)=O
Molecular Formula
C84H119N27O28
Molecular Weight
1955.01
References & Citations
[1]Kowalik-Jankowska T, et al. Coordination abilities of the 1-16 and 1-28 fragments of beta-amyloid peptide towards copper (II) ions: a combined potentiometric and spectroscopic study. J Inorg Biochem. 2003 Jul 1;95 (4) :270-82.|[2]Minicozzi V, et al. Identifying the minimal copper- and zinc-binding site sequence in amyloid-beta peptides. J Biol Chem. 2008 Apr 18;283 (16) :10784-92.|[3]Istrate AN, et al. NMR solution structure of rat aβ (1-16) : toward understanding the mechanism of rats' resistance to Alzheimer's disease. Biophys J. 2012 Jan 4;102 (1) :136-43.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Amyloid beta-Protein (1-16)
CAS Number131580-10-4
PubChem CID146156923
IUPAC Name6-amino-2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[(2-amino-3-carboxypropanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-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-4-yl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid
Molecular FormulaC84H119N27O28
Molecular Weight1955.0
XLogP-12.4
Topological Polar Surface Area907
Hydrogen Bond Donor Count31
Hydrogen Bond Acceptor Count34
Rotatable Bond Count65
Heavy Atom Count139
Formal Charge0
Complexity4200
SMILES
CC(C)C(C(=O)NC(CC1=CNC=N1)C(=O)NC(CC2=CNC=N2)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)CNC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CC4=CNC=N4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)N
InChI
InChI=1S/C84H119N27O28/c1-41(2)68(82(137)109-59(30-47-35-92-40-97-47)80(135)107-57(28-45-33-90-38-95-45)78(133)102-51(18-21-62(87)114)73(128)104-54(83(138)139)12-7-8-24-85)111-75(130)53(20-23-65(118)119)103-76(131)55(27-44-14-16-48(113)17-15-44)99-63(115)36-94-71(126)61(37-112)110-81(136)60(32-67(122)123)108-79(134)58(29-46-34-91-39-96-46)106-72(127)50(13-9-25-93-84(88)89)101-77(132)56(26-43-10-5-4-6-11-43)105-74(129)52(19-22-64(116)117)100-69(124)42(3)98-70(125)49(86)31-66(120)121/h4-6,10-11,14-17,33-35,38-42,49-61,68,112-113H,7-9,12-13,18-32,36-37,85-86H2,1-3H3,(H2,87,114)(H,90,95)(H,91,96)(H,92,97)(H,94,126)(H,98,125)(H,99,115)(H,100,124)(H,101,132)(H,102,133)(H,103,131)(H,104,128)(H,105,129)(H,106,127)(H,107,135)(H,108,134)(H,109,137)(H,110,136)(H,111,130)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,138,139)(H4,88,89,93)
InChIKey
PKSRFXGDLPWBBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amyloid beta-Protein (1-16)
CAS: 131580-10-4
CID: 146156923
Formula: C84H119N27O28
MW: 1955.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1955.0
XLogP3-12.4
Hydrogen Bond Donor Count31
Hydrogen Bond Acceptor Count34
Rotatable Bond Count65
Exact Mass1953.8717862
Monoisotopic Mass1953.8717862
Topological Polar Surface Area907 Ų
Heavy Atom Count139
Formal Charge0
Complexity4200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count15
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes