Linaclotide | CAS No. 851199-59-2

Linaclotide

Basic Information

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CAS Number

851199-59-2

Molecular Formula

C59H79N15O21S6

Molecular Weight

1526.74 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.60

SMILES

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OC(=O)CC[C@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)[C@H]4N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)CSSC[C@H](NC(=O)CNC(=O)C(NC3=O)[C@H](O)C)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CSSC[C@@H](C(=O)N2)N)CC(=O)N)CCC4

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-VRMHCMCOSA-N

LogP

-5.939200000000029

Topological Polar Surface Area

573.91 Å²

Hydrogen Bond Donor/Acceptor

21 / 36

Synonyms & References

English

Linaelotide Acetate
Linaclotide
LINACLOTIDE ACETATE
L-Tyrosine, L-cysteinyl-L-cysteinyl-L-α-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)
((3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-amino-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-23-(4-hydroxybenzyl)-9-((R)-1-hydroxyethyl)-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-19H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carbonyl)-L-tyrosine

MDL Number

MFCD20526656

FAQ

What is Linaclotide (CAS: 851199-59-2)?

Linaclotide is a synthetic osmotic laxative used primarily to treat chronic constipation. Its chemical formula is C15H17N3O5S, and it is a small molecule with a molecular weight of 367.38 g/mol. It is known for its ability to enhance intestinal fluid secretion and promote bowel movements by acting on the guanylate cyclase-C receptor in the intestinal epithelium.

What are the main uses of Linaclotide (CAS: 851199-59-2)?

Linaclotide is mainly used in pharmaceuticals to treat chronic constipation, particularly in patients with irritable bowel syndrome with constipation (IBS-C) and chronic idiopathic constipation (CIC). It is also used in research for studying gastrointestinal motility and as a tool in drug development related to digestive health.

Is Linaclotide (CAS: 851199-59-2) safe?

Linaclotide is generally considered safe when used as directed. It has been evaluated for toxicity and is approved by regulatory bodies such as the FDA. However, precautions should be taken, especially in patients with a history of gastrointestinal issues. Proper handling and adherence to safety guidelines are essential to minimize risks.

How should Linaclotide (CAS: 851199-59-2) be stored?

Linaclotide should be stored in a cool, dry place away from direct light. It is typically kept in airtight containers to maintain stability and prevent moisture exposure. The recommended storage temperature is between 15°C to 30°C, and it should be protected from humidity and light to preserve its potency and quality.