Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C92H141N25O26.4C2H4O2 |
Molecular Weight | 2253.4637 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 20 / 20 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
InChI
InChIKey=AGWHZYPHHINWPT-WPDHDECSSA-N
InChI=1S/C92H141N25O26.4C2H4O2/c1-11-48(8)72(88(139)112-71(47(6)7)87(138)114-73(49(9)118)90(141)117-36-22-29-63(117)83(134)104-56(28-20-34-100-92(97)98)78(129)115-74(50(10)119)91(142)143)113-82(133)61(41-65(95)120)107-76(127)55(27-18-19-33-93)103-79(130)58(37-51-23-14-12-15-24-51)105-80(131)59(38-52-25-16-13-17-26-52)106-81(132)60(39-53-43-99-44-101-53)108-85(136)69(45(2)3)111-86(137)70(46(4)5)110-84(135)64-30-21-35-116(64)89(140)62(42-66(96)121)109-77(128)57(31-32-67(122)123)102-75(126)54(94)40-68(124)125;4*1-2(3)4/h12-17,23-26,43-50,54-64,69-74,118-119H,11,18-22,27-42,93-94H2,1-10H3,(H2,95,120)(H2,96,121)(H,99,101)(H,102,126)(H,103,130)(H,104,134)(H,105,131)(H,106,132)(H,107,127)(H,108,136)(H,109,128)(H,110,135)(H,111,137)(H,112,139)(H,113,133)(H,114,138)(H,115,129)(H,122,123)(H,124,125)(H,142,143)(H4,97,98,100);4*1H3,(H,3,4)/t48-,49+,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-,72-,73-,74-;;;;/m0..../s1
Dirucotide (MBP 8298) is a synthetic myelin basic protein (MBP) peptide designed to decrease type 2 helper T cells (TH2)-mediated B-cell signalling of auto-reactive T-cells thereby reducing the production of specific antibodies that target endogenous MBP. MBP is the dominant site of attack in patients with multiple sclerosis and haplotype (HLA) DR2 or DR4. Dirucotide did not meet the primary endpoint of delaying disease progression, as measured by the Expanded Disability Status Scale (EDSS), during the two-year MAESTRO-01 Phase III trial in patients with secondary progressive multiple sclerosis (SPMS). In addition, there were no statistically significant differences between dirucotide and placebo on the secondary endpoints of the study. After disappointing trial results, development of the drug was ended in 2009.
Approval Year
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781666-30-6
Created by
admin on Fri Dec 15 17:40:03 GMT 2023 , Edited by admin on Fri Dec 15 17:40:03 GMT 2023
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CHEMBL2105639
Created by
admin on Fri Dec 15 17:40:03 GMT 2023 , Edited by admin on Fri Dec 15 17:40:03 GMT 2023
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TT-107
Created by
admin on Fri Dec 15 17:40:03 GMT 2023 , Edited by admin on Fri Dec 15 17:40:03 GMT 2023
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46174143
Created by
admin on Fri Dec 15 17:40:03 GMT 2023 , Edited by admin on Fri Dec 15 17:40:03 GMT 2023
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48G1L28581
Created by
admin on Fri Dec 15 17:40:03 GMT 2023 , Edited by admin on Fri Dec 15 17:40:03 GMT 2023
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C166738
Created by
admin on Fri Dec 15 17:40:03 GMT 2023 , Edited by admin on Fri Dec 15 17:40:03 GMT 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD