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HPV16-E711-20 epitope

CAT: 0804-HY-P1881Size: 1 EachDry Ice: NoHazardous: No
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Description
HPV16-E711-20 epitope is a well-known HLA-A*0201-restricted human cytotoxic T lymphocyte (CTL) epitope of the HPV16 E7 protein that shows high-affinity binding to HLA-A2 in vitro. HPV16 CTL epitopes may be good candidates for the development of an effective peptide-based antitumor vaccine[1].
CAS Number
160040-04-0
UNSPSC
12352209
Target
HPV
Type
Peptides
Related Pathways
Anti-infection
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hpv16-e711-20-epitope.html
Solubility
10 mM in DMSO
Smiles
OC(C=C1)=CC=C1C[C@H](N)C(N[C@@H](CCSC)C(N[C@@H](CC(C)C)C(N[C@@H](CC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(N)=O)C(N2[C@@H](CCC2)C(N[C@@H](CCC(O)=O)C(N[C@@H]([C@H](O)C)C(N[C@H](C(O)=O)[C@H](O)C)=O)=O)=O)=O)=O)=O)=O)=O)=O
Molecular Formula
C53H83N11O19S
Molecular Weight
1210.35
References & Citations
[1]Ding Z, et al. Cytolytic activity of the human papillomavirus type 16 E711-20 epitope-specific cytotoxic T lymphocyte is enhanced by heat shock protein 110 in HLA-A*0201 transgenic mice. Clin Vaccine Immunol. 2013 Jul;20 (7) :1027-33.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

H-Tyr-Met-Leu-Asp-Leu-Gln-Pro-Glu-Thr-Thr-OH
CAS Number160040-04-0
PubChem CID10124669
IUPAC Name(4S)-4-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S,3R)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC53H83N11O19S
Molecular Weight1210.4
XLogP-4.2
Topological Polar Surface Area520
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count21
Rotatable Bond Count37
Heavy Atom Count84
Formal Charge0
Complexity2310
SMILES
C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)O
InChI
InChI=1S/C53H83N11O19S/c1-25(2)21-35(60-49(78)37(24-41(71)72)61-48(77)36(22-26(3)4)59-45(74)33(18-20-84-7)56-44(73)31(54)23-29-10-12-30(67)13-11-29)47(76)58-34(14-16-39(55)68)52(81)64-19-8-9-38(64)50(79)57-32(15-17-40(69)70)46(75)62-42(27(5)65)51(80)63-43(28(6)66)53(82)83/h10-13,25-28,31-38,42-43,65-67H,8-9,14-24,54H2,1-7H3,(H2,55,68)(H,56,73)(H,57,79)(H,58,76)(H,59,74)(H,60,78)(H,61,77)(H,62,75)(H,63,80)(H,69,70)(H,71,72)(H,82,83)/t27-,28-,31+,32+,33+,34+,35+,36+,37+,38+,42+,43+/m1/s1
InChIKey
HLWKZPMTWSUOSW-NGUZVADMSA-N
Chemical Structure
2D Structure
2D structure of H-Tyr-Met-Leu-Asp-Leu-Gln-Pro-Glu-Thr-Thr-OH
CAS: 160040-04-0
CID: 10124669
Formula: C53H83N11O19S
MW: 1210.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1210.4
XLogP3-4.2
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count21
Rotatable Bond Count37
Exact Mass1209.55874063
Monoisotopic Mass1209.55874063
Topological Polar Surface Area520 Ų
Heavy Atom Count84
Formal Charge0
Complexity2310
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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