Linaclotide

• CAT Number: I005107
• CAS Number: 851199-59-2
• Molecular Formula: C59H79N15O21S6
• Molecular Weight: 1526.72
• Purity: ≥95%
• Synonyms: MM-416775; MM 416775; MM416775; MD-1100 acetate; Linaclotide; Linaclotide acetate; Linzess; Constela
• Target: Guanylate Cyclase
• Solubility: 10 mM in DMSO
• Storage: 3 years -20C powder
• IUPAC Name: (2S)-2-[[(1R,4S,7S,13S,16R,21R,24R,27S,30S,33R,38R,44S)-21-amino-13-(2-amino-2-oxoethyl)-27-(2-carboxyethyl)-44-[(1R)-1-hydroxyethyl]-30-[(4-hydroxyphenyl)methyl]-4-methyl-3,6,12,15,22,25,28,31,40,43,46,51-dodecaoxo-18,19,35,36,48,49-hexathia-2,5,11,14,23,26,29,32,39,42,45,52-dodecazatetracyclo[22.22.4.216,33.07,11]dopentacontane-38-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
• 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
• InChIKey: KXGCNMMJRFDFNR-WDRJZQOASA-N
• SMILES: CC1C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)CNC(=O)C(NC2=O)C(C)O)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)O)C(=O)NC(CSSCC(C(=O)N3)N)C(=O)NC(C(=O)N5CCCC5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O

Linaclotide(CAT: I005107) is a guanylate cyclase-C (GC-C) agonist used in the treatment of irritable bowel syndrome with constipation (IBS-C) and chronic idiopathic constipation (CIC). By activating GC-C receptors in the intestinal lining, Linaclotide increases levels of cyclic guanosine monophosphate (cGMP), which promotes fluid secretion into the intestines and accelerates bowel movements. Additionally, Linaclotide reduces the sensation of pain in the gut by inhibiting pain signaling pathways. It is taken orally and offers relief from symptoms such as abdominal pain, bloating, and constipation. Linaclotide provides an effective therapeutic option for patients with chronic constipation-related disorders.