For research use only. Not for therapeutic Use.
Linaclotide(CAT: I007672) is a synthetic guanylate cyclase-C (GC-C) agonist used primarily in the treatment of chronic idiopathic constipation (CIC) and irritable bowel syndrome with constipation (IBS-C). By activating GC-C receptors on the intestinal epithelium, Linaclotide increases intracellular cyclic guanosine monophosphate (cGMP) levels, leading to enhanced chloride and bicarbonate secretion into the intestinal lumen through the CFTR channel. This action promotes increased intestinal fluid secretion and accelerated gastrointestinal transit, relieving constipation and associated abdominal pain. Linaclotide is widely studied in gastrointestinal research for its potential in managing motility disorders and improving bowel function.
| Catalog Number | I007672 |
| CAS Number | 851199-60-5 (acetate); 851199-59-2(free base). |
| Synonyms | MM-416775; MM 416775; MM416775; MD-1100 acetate; Linaclotide; Linaclotide acetate; Linzess; Constela;2-(32-amino-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-23-(4-hydroxybenzyl)-9-(1-hydroxyethyl)-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxot |
| Molecular Formula | C59H79N15O21S6 |
| Purity | ≥95% |
| Solubility | Soluble in DMSO. |
| Storage | 0 - 4°C for short term , or -20°C for long term. |
| 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 | C[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=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](CC4=CC=C(C=C4)O)C(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N3)N)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O |
; 851199-59-2(free base)..gif)