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AQP4 (201-220)

CAT: 0804-HY-P10936Size: 1 EachDry Ice: NoHazardous: No
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Description
AQP4 (201-220) is an encephalitogenic epitope of AQP-4. AQP4 (201-220) can induce experimental autoimmune encephalomyelitis (EAE) (characterized by midline lesions in the brain, retinal pathology, and lesions at the grey matter/white matter border zone in the spinal cord) . AQP-4 is a target antigen in neuromyelitis optica[1].
CAS Number
2104700-59-4
UNSPSC
12352209
Target
Aquaporin
Related Pathways
Membrane Transporter/Ion Channel
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Neurological Disease
Smiles
OC(C=C1)=CC=C1C[C@H](NC([C@H](CC(N)=O)NC([C@H]([C@@H](C)CC)NC([C@H](C)NC([C@@H](NC([C@H](CC(C)C)NC([C@@H](N)CC2=CN=CN2)=O)=O)CC3=CC=CC=C3)=O)=O)=O)=O)C(N[C@@H]([C@H](O)C)C(NCC(N[C@@H](C)C(N[C@@H](CO)C(N[C@@H](CCSC)C(N[C@@H](CC(N)=O)C(N4[C@@H](CCC4)C(N[C@@H](C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CO)C(N[C@H](C(NCC(N5[C@@H](CCC5)C(O)=O)=O)=O)CC6=CC=CC=C6)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
Molecular Formula
C97H143N27O27S
Molecular Weight
2151.40
References & Citations
[1]Afzali AM, et al. AQP4-specific T cells determine lesion localization in the CNS in a model of NMOSD. Acta Neuropathol Commun. 2025 Feb 11;13 (1) :27. |[2]Vogel A L. Adaptive immune responses to AQP4 in a murine model for neuromyelitis optica[D]. Technische Universität München, 2023.|[3]Afzali AM, et al. B cells orchestrate tolerance to the neuromyelitis optica autoantigen AQP4. Nature. 2024 Mar;627 (8003) :407-415.|[4]Arellano G, et al. Interferon-γ controls aquaporin 4-specific Th17 and B cells in neuromyelitis optica spectrum disorder. Brain. 2024 Apr 4;147 (4) :1344-1361.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

H-His-Leu-Phe-Ala-Ile-Asn-Tyr-Thr-Gly-Ala-Ser-Met-Asn-Pro-Ala-Arg-Ser-Phe-Gly-Pro-OH
CAS Number2104700-59-4
PubChem CID176490122
IUPAC Name(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC97H143N27O27S
Molecular Weight2151.4
XLogP-7.1
Topological Polar Surface Area882
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count31
Rotatable Bond Count64
Heavy Atom Count152
Formal Charge0
Complexity4680
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N4CCC[C@H]4C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CN=CN6)N
InChI
InChI=1S/C97H143N27O27S/c1-10-50(4)77(121-81(135)53(7)109-86(140)65(38-56-22-15-12-16-23-56)115-87(141)63(36-49(2)3)113-82(136)60(98)40-58-43-103-48-107-58)94(148)117-67(41-73(99)129)88(142)116-66(39-57-27-29-59(128)30-28-57)89(143)122-78(54(8)127)93(147)105-44-75(131)108-51(5)79(133)119-69(46-125)90(144)112-62(31-35-152-9)85(139)118-68(42-74(100)130)95(149)124-34-18-25-71(124)92(146)110-52(6)80(134)111-61(24-17-32-104-97(101)102)84(138)120-70(47-126)91(145)114-64(37-55-20-13-11-14-21-55)83(137)106-45-76(132)123-33-19-26-72(123)96(150)151/h11-16,20-23,27-30,43,48-54,60-72,77-78,125-128H,10,17-19,24-26,31-42,44-47,98H2,1-9H3,(H2,99,129)(H2,100,130)(H,103,107)(H,105,147)(H,106,137)(H,108,131)(H,109,140)(H,110,146)(H,111,134)(H,112,144)(H,113,136)(H,114,145)(H,115,141)(H,116,142)(H,117,148)(H,118,139)(H,119,133)(H,120,138)(H,121,135)(H,122,143)(H,150,151)(H4,101,102,104)/t50-,51-,52-,53-,54+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,77-,78-/m0/s1
InChIKey
ZYLALZWZILIJIE-XJJQRWKCSA-N
Chemical Structure
2D Structure
2D structure of H-His-Leu-Phe-Ala-Ile-Asn-Tyr-Thr-Gly-Ala-Ser-Met-Asn-Pro-Ala-Arg-Ser-Phe-Gly-Pro-OH
CAS: 2104700-59-4
CID: 176490122
Formula: C97H143N27O27S
MW: 2151.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2151.4
XLogP3-7.1
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count31
Rotatable Bond Count64
Exact Mass2151.0400984
Monoisotopic Mass2150.0367436
Topological Polar Surface Area882 Ų
Heavy Atom Count152
Formal Charge0
Complexity4680
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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