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β-Amyloid (1-20)

CAT: 0804-HY-P1850-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P1850-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
β-Amyloid (1-20) consists of amino acids 1 to 20 of beta amyloid protein[1].
CAS Number
186319-68-6
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-1-20.html
Purity
99.67
Solubility
DMSO : 28.57 mg/mL (adjust pH to 3 with 1 M HCl)
Smiles
O=C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(O)=O)CC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)=O)=O)=O)[C@@H](NC([C@@H](NC([C@H](C(C)C)NC([C@H](CCC(O)=O)NC([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)CC3=CC=CC=C3)=O)=O)CC4=CN=CN4)=O)=O)=O)=O)CC(C=C5)=CC=C5O)=O)=O)=O)CC6=CN=CN6)=O)CC7=CN=CN7
Molecular Formula
C113H157N31O32
Molecular Weight
2461.64
References & Citations
[1]Libeu CP, et al. Structural and functional alterations in amyloid-β precursor protein induced by amyloid-β peptides. J Alzheimers Dis. 2011;25 (3) :547-66.
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

beta-Amyloid 1-20
CAS Number186319-68-6
PubChem CID168476079
IUPAC Name(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC113H157N31O32
Molecular Weight2461.6
XLogP-8
Topological Polar Surface Area1020
Hydrogen Bond Donor Count35
Hydrogen Bond Acceptor Count38
Rotatable Bond Count80
Heavy Atom Count176
Formal Charge0
Complexity5460
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)N[C@@H](C(C)C)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)O)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C113H157N31O32/c1-58(2)40-76(109(172)144-93(60(5)6)110(173)139-79(42-63-22-13-9-14-23-63)104(167)141-84(112(175)176)44-64-24-15-10-16-25-64)134-97(160)71(26-17-18-38-114)130-99(162)73(32-35-86(116)147)132-105(168)80(45-66-50-119-55-124-66)137-107(170)82(47-68-52-121-57-126-68)140-111(174)92(59(3)4)143-101(164)75(34-37-89(151)152)133-102(165)77(43-65-28-30-69(146)31-29-65)128-87(148)53-123-96(159)85(54-145)142-108(171)83(49-91(155)156)138-106(169)81(46-67-51-120-56-125-67)136-98(161)72(27-19-39-122-113(117)118)131-103(166)78(41-62-20-11-8-12-21-62)135-100(163)74(33-36-88(149)150)129-94(157)61(7)127-95(158)70(115)48-90(153)154/h8-16,20-25,28-31,50-52,55-61,70-85,92-93,145-146H,17-19,26-27,32-49,53-54,114-115H2,1-7H3,(H2,116,147)(H,119,124)(H,120,125)(H,121,126)(H,123,159)(H,127,158)(H,128,148)(H,129,157)(H,130,162)(H,131,166)(H,132,168)(H,133,165)(H,134,160)(H,135,163)(H,136,161)(H,137,170)(H,138,169)(H,139,173)(H,140,174)(H,141,167)(H,142,171)(H,143,164)(H,144,172)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,175,176)(H4,117,118,122)/t61-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,92-,93-/m0/s1
InChIKey
YMPJIOBRYGDOKJ-ZIGLQUDLSA-N
Chemical Structure
2D Structure
2D structure of beta-Amyloid 1-20
CAS: 186319-68-6
CID: 168476079
Formula: C113H157N31O32
MW: 2461.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2461.6
XLogP3-8
Hydrogen Bond Donor Count35
Hydrogen Bond Acceptor Count38
Rotatable Bond Count80
Exact Mass2461.1644468
Monoisotopic Mass2460.1610920
Topological Polar Surface Area1020 Ų
Heavy Atom Count176
Formal Charge0
Complexity5460
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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