WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 314227
CAS#: 851199-59-2 (free base)
Description: Linaclotide is an peptide agonist of guanylate cyclase 2C that is undergoing clinical trials for use in treating abdominal pain in patients with irritable bowel syndrome (IBS) accompanied by constipation. The drug also has promising outlooks for the treatment of gastroparesis, ulcerative colitis, chronic intestinal pseudo-obstruction (CIPO), and inertia coli as well. (Source: http://en.wikipedia.org/wiki/Linaclotide)
MedKoo Cat#: 314227
Name: Linaclotide
CAS#: 851199-59-2 (free base)
Chemical Formula: C59H79N15O21S6
Exact Mass: 1525.38992
Molecular Weight: 1526.74
Elemental Analysis: C, 46.41; H, 5.22; N, 13.76; O, 22.01; S, 12.60
Related CAS #: 851199-60-5 (acetate) 851199-59-2 (free base)
Synonym: MM-416775; MM 416775; MM416775; MD-1100 acetate; Linaclotide; Linaclotide acetate; Linzess; Constela
IUPAC/Chemical Name: 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-dodecaoxotetracontahydro-1H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28,5,8,11,14,17,20,23,32,35,38,41]tetrathiaundecaazacyclotritetracontine-15-carboxamido)-3-(4-hydroxyphenyl)propanoic acid
InChi Key: KXGCNMMJRFDFNR-UHFFFAOYSA-N
InChi Code: 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)
SMILES Code: CC(C1NC(C2CSSCC3NC(C(CSSCC(C(NC(C(N4CCCC4C(NC(C(N2)=O)C)=O)=O)CC(N)=O)=O)NC(C(NC(C(NC(C(NC3=O)CCC(O)=O)=O)CC5=CC=C(C=C5)O)=O)CSSCC(C(NC(C(O)=O)CC6=CC=C(C=C6)O)=O)NC(CNC1=O)=O)=O)N)=O)=O)O
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO.
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 1526.74 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
