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WT1 126-134 peptide

CAT: 0931-TP3882-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3882-01Size:10 mg
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CAS Number
256952-63-3
Target
MHC
Related Pathways
Immunology/Inflammation
Bioactivity
WT1 126-134 peptide is a WT1 polypeptide (Wilms' tumor 1 peptide) (RMFPNAPYL) that activates cytotoxic CD8 T cells to target and destroy WT1+ tumor cells. It can form stable complexes with either H-2Db (murine) or HLA-A0201 (human) molecules. The WT1 126-134 peptide/HLA-A0201 complex exhibits high affinity for humanized monoclonal antibodies (IgG1), with a dissociation constant (Kd) of 0.2 nM. This peptide can be utilized as a T cell vaccine or an antibody target.
Smiles
C([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@H](CCCNC(=N)N)N)=O)CCSC)=O)(=O)N2[C@H](C(N[C@H](C(N[C@H](C(=O)N3[C@H](C(N[C@@H](CC4=CC=C(O)C=C4)C(N[C@@H](CC(C)C)C(O)=O)=O)=O)CCC3)C)=O)CC(N)=O)=O)CCC2
Molecular Formula
C52H77N13O12S
Molecular Weight
1108.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
CAS Number256952-63-3
PubChem CID9833369
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC52H77N13O12S
Molecular Weight1108.3
XLogP-2.3
Topological Polar Surface Area432
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count30
Heavy Atom Count78
Formal Charge0
Complexity2100
SMILES
C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C52H77N13O12S/c1-29(2)25-39(51(76)77)63-46(71)36(26-32-16-18-33(66)19-17-32)60-47(72)40-14-9-22-64(40)49(74)30(3)58-45(70)37(28-42(54)67)61-48(73)41-15-10-23-65(41)50(75)38(27-31-11-6-5-7-12-31)62-44(69)35(20-24-78-4)59-43(68)34(53)13-8-21-57-52(55)56/h5-7,11-12,16-19,29-30,34-41,66H,8-10,13-15,20-28,53H2,1-4H3,(H2,54,67)(H,58,70)(H,59,68)(H,60,72)(H,61,73)(H,62,69)(H,63,71)(H,76,77)(H4,55,56,57)/t30-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
InChIKey
FWIKYWLVIOJBED-SXMXEBDWSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
CAS: 256952-63-3
CID: 9833369
Formula: C52H77N13O12S
MW: 1108.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1108.3
XLogP3-2.3
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count30
Exact Mass1107.55353612
Monoisotopic Mass1107.55353612
Topological Polar Surface Area432 Ų
Heavy Atom Count78
Formal Charge0
Complexity2100
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19144688-01WT1 126-134 peptide
GTR18889901CREB327 (113-126) peptide
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GTR18890557Human BAD (103-126) peptide
GTR18891044Human Prion (106-126) peptide
GTR18988673TXNDC11 (aa113-126) Immunizing Peptide
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