Linaclotide

CAS: 851199-59-2

Ref. TR-L465880

Product Information

• Name: Linaclotide
• Synonyms: L-Tyrosine, L-cysteinyl-L-cysteinyl-L-a-glutamyl-L-tyrosyl-L-cysteinyl-L-cysteinyl-L-asparaginyl-L-prolyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-, cyclic (1?6),(2?10),(5?13)-tris(disulfide), Linzess
• CAS: 851199-59-2

Description

Applications Linaclotide is a guanylate cyclase-C agonist currently being studied in Phase 3 trials for the treatment of irritable bowel syndrome with constipation.
References Chey, W.D., et al.: Am. J. Gastroenterol., 107, 1702 (2012); Rao, S., et al.: Am. J. Gastroentrol., 107, 1714 (2012); Brierley, S.M., et al.: Curr. Opinion. Pharmacol., 12, 632 (2012);

• Brand: TRC

Chemical properties

• Molecular weight: 1526.74
• Formula: C₅₉H₇₉N₁₅O₂₁S₆
• Color/Form: Neat
• InChI: InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)/t26-,27?,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
• InChI key: InChIKey=KXGCNMMJRFDFNR-PLECLAAWSA-N
• SMILES: C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)CSSC[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(=O)O)NC3=O)C(=O)N2