Dirucotide, a peptide-based therapeutic agent, is widely employed in the biomedical sector to combat the lingering effects of multiple sclerosis (MS). Its mechanism of action lies in its ability to finely regulate the immune response, effectively curtailing inflammation while concurrently safeguarding the integrity of nerve cells.
CAT No: R2049
CAS No: 152074-97-0
Synonyms/Alias: Dirucotide;152074-97-0;Dirucotide [USAN:INN];Dirucotide (USAN);Dirucotide [USAN];MBP8298;26188K0CWH;DTXSID101336603;Dirucotida;Human myelin basic protein-(216-232)-peptide (major 18.5 kDa isoform-(82-98)-peptide);L-alpha-aspartyl-L-alpha-glutamyl-L-asparaginyl-L-prolyl-L-valyl-L-valyl-L-histidyl-L-phenylalanyl-L-phenylalanyl-L-lysyl-L-asparaginyl-L-isoleucyl-L-valyl-L-threonyl-L-prolyl-L-arginyl-L-threonine;L-Threonine, L-a-aspartyl-L-a-glutaMyl-L-asparaginyl-L-prolyl-L-valyl-L-valyl-L-histidyl-L- phenylal;L-Threonine, L-alpha-aspartyl-L-alpha-glutamyl-L-asparaginyl-L-prolyl-L-valyl-L-valyl-L-histidyl-L-phenylalanyl-L-phenylalanyl-L-lysyl-L-asparaginyl-L-isoleucyl-L-valyl-L-threonyl-L-prolyl-L-arginyl-;dirucotidum;MBP-8298;UNII-26188K0CWH;DIRUCOTIDE [MI];DIRUCOTIDE [INN];DIRUCOTIDE [WHO-DD];DTXCID201766829;DA-62918;D09396;ASP-GLU-ASN-PRO-VAL-VAL-HIS-PHE-PHE-LYS-ASN-ILE-VAL-THR-PRO-ARG-THR;H2N-ASP-GLU-ASN-PRO-VAL-VAL-HIS-PHE-PHE-LYS-ASN-ILE-VAL-THR-PRO-ARG-THR-OH;Human myelin basic protein-(216-232)-peptide (major 18.5 kDa isoform-(82-98)- peptide);L-THREONINE, L-.ALPHA.-ASPARTYL-L-.ALPHA.-GLUTAMYL-L-ASPARAGINYL-L-PROLYL-L-VALYL-L-VALYL-L-HISTIDYL-L-PHENYLALANYL-L-PHENYLALANYL-L-LYSYL-L-ASPARAGINYL-L-ISOLEUCYL-L-VALYL-L-THREONYL-L-PROLYL-L-ARGINYL-;L-Threonine, L-a-aspartyl-L-a-glutaMyl-L-asparaginyl-L-prolyl-L-valyl-L-valyl-L-histidyl-L- phenylalanyl-L-phenylalanyl-L-lysyl-L-asparaginyl-L-isoleucyl-L-valyl-L-thre onyl-L-prolyl-L-arginy;
Chemical Name: (4S)-5-[[(2S)-4-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-5-carbamimidamido-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-oxopentanoic acid
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M.F/Formula | C92H141N25O26 |
M.W/Mr. | 2013.3 |
Sequence | One Letter Code:DENPVVHFFKNIVTPRT Three Letter Code:H-Asp-Glu-Asn-Pro-Val-Val-His-Phe-Phe-Lys-Asn-Ile-Val-Thr-Pro-Arg-Thr-OH |
InChI | InChI=1S/C92H141N25O26/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/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)/t48-,49+,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-,72-,73-,74-/m0/s1 |
InChI Key | RCTCWZRPYFBGLQ-WMCRPSJMSA-N |
Canonical SMILES | CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CN=CN4)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C5CCCN5C(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)N |
Isomeric SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N |
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