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GSK3β-peptide

CAT: 0804-HY-P10605-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P10605-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GSK3β-peptide is a substrate mimetic peptide of glycogen synthase kinase 3-β (GSK3-β) that can bind to the active site of GSK3-β and mimic the behavior of a real substrate. GSK3β-peptide can be used to develop substrate mimetic inhibitors of Akt as potential anticancer drugs[1].
CAS Number
496856-73-6
UNSPSC
12352209
Target
Akt; GSK-3
Type
Peptides
Related Pathways
PI3K/Akt/mTOR; Stem Cell/Wnt
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/gsk3β-peptide.html
Purity
99.69
Smiles
OC(CC[C@@H](C(O)=O)NC([C@H](C)NC([C@H](CC1=CC=CC=C1)NC([C@H](CO)NC([C@H]([C@H](O)C)NC([C@H]([C@H](O)C)NC([C@H](CCCNC(N)=N)NC([C@H]2N(CCC2)C([C@@H](NC(CN)=O)CCCNC(N)=N)=O)=O)=O)=O)=O)=O)=O)=O)=O
Molecular Formula
C47H76N16O16
Molecular Weight
1121.20
References & Citations
[1]Kayser, et al. "Modifications of the GSK3β substrate sequence to produce substrate-mimetic inhibitors of Akt as potential anti-cancer therapeutics." Bioorganic & medicinal chemistry letters 17.7 (2007) : 2068-2073.
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

GSK3 Peptide Substrate
CAS Number496856-73-6
PubChem CID5326702
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]pentanedioic acid
Molecular FormulaC47H76N16O16
Molecular Weight1121.2
XLogP-9
Topological Polar Surface Area543
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count19
Rotatable Bond Count34
Heavy Atom Count79
Formal Charge0
Complexity2170
SMILES
C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)CN)O
InChI
InChI=1S/C47H76N16O16/c1-23(37(70)58-29(45(78)79)15-16-34(68)69)55-39(72)30(20-26-10-5-4-6-11-26)59-40(73)31(22-64)60-42(75)35(24(2)65)62-43(76)36(25(3)66)61-38(71)27(12-7-17-53-46(49)50)57-41(74)32-14-9-19-63(32)44(77)28(56-33(67)21-48)13-8-18-54-47(51)52/h4-6,10-11,23-25,27-32,35-36,64-66H,7-9,12-22,48H2,1-3H3,(H,55,72)(H,56,67)(H,57,74)(H,58,70)(H,59,73)(H,60,75)(H,61,71)(H,62,76)(H,68,69)(H,78,79)(H4,49,50,53)(H4,51,52,54)/t23-,24+,25+,27-,28-,29-,30-,31-,32-,35-,36-/m0/s1
InChIKey
WQECLNNFSSWUKQ-JBFJNNABSA-N
Chemical Structure
2D Structure
2D structure of GSK3 Peptide Substrate
CAS: 496856-73-6
CID: 5326702
Formula: C47H76N16O16
MW: 1121.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1121.2
XLogP3-9
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count19
Rotatable Bond Count34
Exact Mass1120.56252040
Monoisotopic Mass1120.56252040
Topological Polar Surface Area543 Ų
Heavy Atom Count79
Formal Charge0
Complexity2170
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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