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PLP (190-209)

CAT: 0804-HY-P10297Size: 1 EachDry Ice: NoHazardous: No
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Description
PLP (190-209) is a myelin proteolipid protein (PLP) fragment. PLP (190-209) is used to induce experimental autoimmune encephalomyelitis (EAE) animal models for multiple sclerosis research[1].
CAS Number
165549-59-7
UNSPSC
12352209
Target
Biochemical Assay Reagents
Type
Peptides
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/plp-190-209.html
Smiles
O=C(N[C@@H](CCCCN)C(N[C@@H]([C@H](O)C)C(N[C@@H](CO)C(N[C@@H](C)C(N[C@@H](CO)C(N[C@@H]([C@@H](C)CC)C(NCC(N[C@@H](CO)C(N[C@@H](CC(C)C)C(N[C@@H](CS)C(N[C@@H](C)C(N[C@@H](CC(O)=O)C(N[C@@H](C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCSC)C(N[C@@H](CC1=CC=C(C=C1)O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CC(C)C)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CO)N
Molecular Formula
C85H144N24O29S2
Molecular Weight
2030.33
References & Citations
[1]Muller DM, et al. A neuropathological analysis of experimental autoimmune encephalomyelitis with predominant brain stem and cerebellar involvement and differences between active and passive induction. Acta Neuropathol. 2000 Aug;100 (2) :174-82.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

H-Ser-Lys-Thr-Ser-Ala-Ser-Ile-Gly-Ser-Leu-Cys-Ala-Asp-Ala-Arg-Met-Tyr-Gly-Val-Leu-OH
CAS Number165549-59-7
PubChem CID172653483
IUPAC Name(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC85H144N24O29S2
Molecular Weight2030.3
XLogP-10.9
Topological Polar Surface Area889
Hydrogen Bond Donor Count33
Hydrogen Bond Acceptor Count34
Rotatable Bond Count68
Heavy Atom Count140
Formal Charge0
Complexity4140
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)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](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)N
InChI
InChI=1S/C85H144N24O29S2/c1-14-42(8)65(108-79(132)59(37-113)104-69(122)45(11)94-77(130)58(36-112)105-83(136)66(46(12)114)109-74(127)50(18-15-16-25-86)98-70(123)49(87)34-110)81(134)92-32-61(116)96-57(35-111)78(131)101-53(28-39(2)3)76(129)106-60(38-139)80(133)95-44(10)68(121)100-55(31-63(118)119)75(128)93-43(9)67(120)97-51(19-17-26-90-85(88)89)72(125)99-52(24-27-140-13)73(126)102-54(30-47-20-22-48(115)23-21-47)71(124)91-33-62(117)107-64(41(6)7)82(135)103-56(84(137)138)29-40(4)5/h20-23,39-46,49-60,64-66,110-115,139H,14-19,24-38,86-87H2,1-13H3,(H,91,124)(H,92,134)(H,93,128)(H,94,130)(H,95,133)(H,96,116)(H,97,120)(H,98,123)(H,99,125)(H,100,121)(H,101,131)(H,102,126)(H,103,135)(H,104,122)(H,105,136)(H,106,129)(H,107,117)(H,108,132)(H,109,127)(H,118,119)(H,137,138)(H4,88,89,90)/t42-,43-,44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-,65-,66-/m0/s1
InChIKey
PJJRSKQCNZFRDQ-AWTFDJQFSA-N
Chemical Structure
2D Structure
2D structure of H-Ser-Lys-Thr-Ser-Ala-Ser-Ile-Gly-Ser-Leu-Cys-Ala-Asp-Ala-Arg-Met-Tyr-Gly-Val-Leu-OH
CAS: 165549-59-7
CID: 172653483
Formula: C85H144N24O29S2
MW: 2030.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2030.3
XLogP3-10.9
Hydrogen Bond Donor Count33
Hydrogen Bond Acceptor Count34
Rotatable Bond Count68
Exact Mass2028.9972470
Monoisotopic Mass2028.9972470
Topological Polar Surface Area889 Ų
Heavy Atom Count140
Formal Charge0
Complexity4140
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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