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M0571

Sigma-Aldrich

MBP (85-99) peptide antagonist trifluoroacetate salt

95% (HPLC), lyophilized powder

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Empirical Formula (Hill Notation):
C70H114N18O21 · xC2HF3O2
CAS Number:
444305-16-2
Molecular Weight:
1543.76 (free base basis)
UNSPSC Code:
12352202
PubChem Substance ID:
329817806
NACRES:
NA.77

Assay

95% (HPLC)

form

lyophilized powder

composition

Peptide content, 63% HPLC

solubility

H2O: >1 mg/mL

shipped in

dry ice

storage temp.

−20°C

SMILES string

OC(=O)C(F)(F)F.CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C)C(O)=O

InChI

1S/C70H114N18O21.C2HF3O2/c1-36(2)55(86-63(101)47(18-10-13-31-72)82-66(104)52-21-16-34-88(52)69(107)49(19-11-14-32-73)84-60(98)45(74)26-28-53(90)91)67(105)83-48(27-29-54(92)93)62(100)78-40(6)59(97)85-50(35-43-22-24-44(89)25-23-43)64(102)81-46(17-9-12-30-71)61(99)77-39(5)57(95)75-37(3)56(94)76-38(4)58(96)79-41(7)68(106)87-33-15-20-51(87)65(103)80-42(8)70(108)109;3-2(4,5)1(6)7/h22-25,36-42,45-52,55,89H,9-21,26-35,71-74H2,1-8H3,(H,75,95)(H,76,94)(H,77,99)(H,78,100)(H,79,96)(H,80,103)(H,81,102)(H,82,104)(H,83,105)(H,84,98)(H,85,97)(H,86,101)(H,90,91)(H,92,93)(H,108,109);(H,6,7)/t37-,38-,39-,40-,41-,42-,45-,46-,47-,48-,49-,50-,51-,52-,55-;/m0./s1

InChI key

JHPGEXWNFDTTLX-RMOYKTNBSA-N

Amino Acid Sequence

Glu-Lys-Pro-Lys-Val-Glu-Ala-Tyr-Lys-Ala- Ala- Ala- Ala-Pro-Ala

Biochem/physiol Actions

MBP (85-99) peptide antagonist inhibits the binding of MBP 85-99 to HLA-DR2 and IL-2 and is a tool for MS research. The peptide antagonist is a 15-mer peptide that competes with Myelin Basic Protein MBP (85-99), the immunodominant epitope of MBP and major candidate autoantigen in multiple sclerosis (MS).

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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