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GAD65 (524-543)

CAT: 0931-T82354-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T82354-01Size:5 mg
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CAS Number
152468-44-5
Bioactivity
GAD65 (524-543) is a biologically active peptide comprising amino acids 524 to 543 of glutamic acid decarboxylase 65 (GAD65) . It represents an early islet antigen fragment that elicits proliferative T cell responses in the non-obese diabetic (NOD) mouse model, instrumental in spontaneous autoimmune diabetes research. The peptide serves as a specific, possibly low-affinity stimulant for the diabetogenic T cell clone BDC2.5. Notably, immunization with GAD65 (524-543) heightens NOD mice's vulnerability to type 1 diabetes when subjected to the adoptive transfer of BDC2.5 T cells.
Smiles
C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC1=CC=C(O)C=C1)C(NCC(N[C@H](C(N[C@@H]([C@@H](C)O)C(O)=O)=O)[C@@H](C)O)=O)=O)=O)CCC(O)=O)=O)CCSC)=O)CCSC)=O)CCCNC(=N)N)=O)C)=O)CCCCN)=O)[C@H](CC)C)=O)C(C)C)(=O)[C@H]2N(C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CCCNC(=N)N)NC([C@H](CO)N)=O)=O)CC(C)C)=O)CO)=O)CCCCN)=O)C(C)C)=O)C)=O)CCC2
Molecular Formula
C97H168N28O28S2
Molecular Weight
2238.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Ser-Arg-Leu-Ser-Lys-Val-Ala-Pro-Val-Ile-Lys-Ala-Arg-Met-Met-Glu-Tyr-Gly-Thr-Thr-OH
CAS Number152468-44-5
PubChem CID16136470
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-1-[[2-[[(2S,3R)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC97H168N28O28S2
Molecular Weight2238.7
XLogP-9.1
Topological Polar Surface Area972
Hydrogen Bond Donor Count34
Hydrogen Bond Acceptor Count35
Rotatable Bond Count77
Heavy Atom Count155
Formal Charge0
Complexity4610
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)N
InChI
InChI=1S/C97H168N28O28S2/c1-15-51(8)74(123-91(148)73(50(6)7)122-89(146)69-27-22-40-125(69)94(151)53(10)109-90(147)72(49(4)5)121-86(143)60(24-17-19-37-99)112-88(145)68(47-127)119-87(144)66(43-48(2)3)117-82(139)62(26-21-39-106-97(103)104)111-78(135)58(100)46-126)92(149)116-59(23-16-18-36-98)80(137)108-52(9)77(134)110-61(25-20-38-105-96(101)102)81(138)114-65(35-42-155-14)85(142)115-64(34-41-154-13)84(141)113-63(32-33-71(132)133)83(140)118-67(44-56-28-30-57(130)31-29-56)79(136)107-45-70(131)120-75(54(11)128)93(150)124-76(55(12)129)95(152)153/h28-31,48-55,58-69,72-76,126-130H,15-27,32-47,98-100H2,1-14H3,(H,107,136)(H,108,137)(H,109,147)(H,110,134)(H,111,135)(H,112,145)(H,113,141)(H,114,138)(H,115,142)(H,116,149)(H,117,139)(H,118,140)(H,119,144)(H,120,131)(H,121,143)(H,122,146)(H,123,148)(H,124,150)(H,132,133)(H,152,153)(H4,101,102,105)(H4,103,104,106)/t51-,52-,53-,54+,55+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,72-,73-,74-,75-,76-/m0/s1
InChIKey
ZYTDAUMVRZWQAV-QIWUVYCYSA-N
Chemical Structure
2D Structure
2D structure of H-Ser-Arg-Leu-Ser-Lys-Val-Ala-Pro-Val-Ile-Lys-Ala-Arg-Met-Met-Glu-Tyr-Gly-Thr-Thr-OH
CAS: 152468-44-5
CID: 16136470
Formula: C97H168N28O28S2
MW: 2238.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2238.7
XLogP3-9.1
Hydrogen Bond Donor Count34
Hydrogen Bond Acceptor Count35
Rotatable Bond Count77
Exact Mass2238.2057840
Monoisotopic Mass2237.2024292
Topological Polar Surface Area972 Ų
Heavy Atom Count155
Formal Charge0
Complexity4610
Isotope Atom Count0
Defined Atom Stereocenter Count22
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5806567XP-524
HY-157993-01SAG-524
MBS3844155-01BAY-524
377375GAD65
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BA6919-25DMP-543

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