MM 419447

MM 419447, a linaclotide metabolite, is a guanylate cyclase-C agonist. MM 419447 has the potential for the research of the irritable bowel syndrome with constipation (IBS-C).

Product information

CAS Number: 1092457-78-7

Molecular Weight: 1369.61

Formula: C50H76N14O19S6

Chemical Name: (4S)-5-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-4-amino-1-[(2S)-2-[[(2S)-1-[[(2R)-1-[[(2S, 3R)-1-[[2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1, 4-dioxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[(2R)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid

Smiles: C[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CC1C=CC(O)=CC=1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)NCC(=O)N[C@@H](CS)C(O)=O

InChiKey: YBHNYBWSLZIKMH-BRJMRMHMSA-N

InChi: InChI=1S/C50H76N14O19S6/c1-21(39(71)59-32(19-88)46(78)63-38(22(2)65)48(80)53-14-36(68)55-33(20-89)50(82)83)54-47(79)34-4-3-11-64(34)49(81)28(13-35(52)67)58-44(76)30(17-86)62-45(77)31(18-87)61-42(74)27(12-23-5-7-24(66)8-6-23)57-41(73)26(9-10-37(69)70)56-43(75)29(16-85)60-40(72)25(51)15-84/h5-8,21-22,25-34,38,65-66,84-89H,3-4,9-20,51H2,1-2H3,(H2,52,67)(H,53,80)(H,54,79)(H,55,68)(H,56,75)(H,57,73)(H,58,76)(H,59,71)(H,60,72)(H,61,74)(H,62,77)(H,63,78)(H,69,70)(H,82,83)/t21-,22+,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,38-/m0/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

MM 419447 exhibits high-affinity binding to T84 cells, resulting in a significant, concentration-dependent accumulation of intracellular cyclic guanosine-39,59-monophosphate (cGMP).

In Vivo:

MM 419447 (10 mg/kg; p.o.) treatment shows the Cmax, AUC0-6 and t1/2 values of 27 ng/mL, ≤ 29.7 ng h/mL and 0.33 hours, respectively

Products are for research use only. Not for human use.