Dolcanatide

Dolcanatide, a therapeutic peptide, assumes a pivotal role within the biomedical sector for confronting intricate gastrointestinal disorders, notably inflammatory bowel disease (IBD) encompassing Crohn's disease and ulcerative colitis. By precisely engaging specific receptors within the gut, Dolcanatide adeptly alleviates inflammation, subsequently mitigating the distressing symptoms that accompany IBD. Its anti-inflammatory properties demonstrate profound potential in ameliorating the intricate pathogenesis of these debilitating ailments.

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CAT No: R2075

CAS No: 1092457-65-2

Synonyms/Alias: Dolcanatide;Dolcanatide [USAN];UNII-WU977T914K;1092457-65-2;SP-333;WU977T914K;D-Leucine, D-asparaginyl-L-alpha-aspartyl-L-alpha-glutamyl-L-cysteinyl-L-alpha-glutamyl-L-leucyl-L-cysteinyl-L-valyl-L-asparaginyl-L-valyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-, cyclic (4->12),(7->15)-bis(disulfide);dolcanatidum;DOLCANATIDE [INN];Dolcanatide (SP-333);DOLCANATIDE [WHO-DD];CHEMBL5174775;GTPL10011;SP333;HY-P3499;SP 333;DA-52656;CS-0615000;431-220-9;asn-asp-glu-cys-glu-leu-cys-val-asn-val-ala-cys-thr-gly-cys-leu (4->12),(7->15)-bis(disulfide);D-ASN-ASP-GLU-CYS-GLU-LEU-CYS-VAL-ASN-VAL-ALA-CYS-THR-GLY-CYS-D-LEU (4->12),(7->15)-BIS(DISULFIDE);D-LEUCINE, D-ASPARAGINYL-L-.ALPHA.-ASPARTYL-L-.ALPHA.-GLUTAMYL-L-CYSTEINYL-L-.ALPHA.-GLUTAMYL-L-LEUCYL-L-CYSTEINYL-L-VALYL-L-ASPARAGINYL-L-VALYL-L-ALANYL-L-CYSTEINYL-L-THREONYLGLYCYL-L-CYSTEINYL-, CYCLIC (4->12),(7->15)-BIS(DISULFIDE);D-Leucine, D-asparaginyl-L-alpha-aspartyl-L-alpha-glutamyl-L-cysteinyl-L-alpha-glutamyl-L-leucyl-L-cysteinyl-L-valyl-L-asparaginyl-L-valyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-, cyclic (4-->12),(7-->15)-bis(disulfide);

Chemical Name: (2R)-2-[[(1R,4S,7S,10S,13S,16R,19S,22S,25R,32S,38R)-10-(2-amino-2-oxoethyl)-25-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-[[(2R)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]butanoyl]amino]-22-(2-carboxyethyl)-32-[(1R)-1-hydroxyethyl]-4-methyl-19-(2-methylpropyl)-3,6,9,12,15,18,21,24,30,33,36-undecaoxo-7,13-di(propan-2-yl)-27,28,40,41-tetrathia-2,5,8,11,14,17,20,23,31,34,37-undecazabicyclo[14.13.13]dotetracontane-38-carbonyl]amino]-4-methylpentanoic acid

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M.F/FormulaC65H104N18O26S4
M.W/Mr.1681.9
SequenceOne Letter Code:NDECELCVNVACTGCL
Three Letter Code:H-D-Asn-Asp-Glu-Cys(1)-Glu-Leu-Cys(2)-Val-Asn-Val-Ala-Cys(1)-Thr-Gly-Cys(2)-D-Leu-OH
InChIInChI=1S/C65H104N18O26S4/c1-25(2)15-34-55(98)80-41-24-113-110-21-38(58(101)77-37(65(108)109)16-26(3)4)71-44(87)20-69-62(105)50(30(10)84)83-61(104)40(78-51(94)29(9)70-63(106)48(27(5)6)81-57(100)35(18-43(68)86)76-64(107)49(28(7)8)82-60(41)103)23-112-111-22-39(59(102)73-32(53(96)75-34)11-13-45(88)89)79-54(97)33(12-14-46(90)91)72-56(99)36(19-47(92)93)74-52(95)31(66)17-42(67)85/h25-41,48-50,84H,11-24,66H2,1-10H3,(H2,67,85)(H2,68,86)(H,69,105)(H,70,106)(H,71,87)(H,72,99)(H,73,102)(H,74,95)(H,75,96)(H,76,107)(H,77,101)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,103)(H,83,104)(H,88,89)(H,90,91)(H,92,93)(H,108,109)/t29-,30+,31+,32-,33-,34-,35-,36-,37+,38-,39-,40-,41-,48-,49-,50-/m0/s1
InChI KeyNSPHQWLKCGGCQR-HLHYUOOASA-N
Canonical SMILESCC1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)CNC(=O)C(NC2=O)C(C)O)C(=O)NC(CC(C)C)C(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)C)CC(=O)N)C(C)C)CC(C)C)CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)N
Isomeric SMILESC[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CC(=O)N)C(C)C)CC(C)C)CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(=O)N)N
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