Linaclotide
featured

    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)


Chemical Structure

img
Linaclotide
CAS# 851199-59-2 (free base)

Theoretical Analysis

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

Price and Availability

Size Price Availability Quantity
5.0mg USD 350.0 2 Weeks
10.0mg USD 550.0 2 Weeks
Bulk inquiry

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

Certificate of Analysis:

Safety Data Sheet (SDS):

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x