Pumosetrag HCl

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MedKoo CAT#: 126812

CAS#: 194093-42-0 (HCl)

Description: Pumosetrag HCl, also known as DDP-733 and MKC-733, is a 5-HT3 agonist potentially for the treatment of gastroesophageal reflux disease (GERD) and irritable bowel syndrome.

Chemical Structure

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Pumosetrag HCl
CAS# 194093-42-0 (HCl)
Instruction

Theoretical Analysis

MedKoo Cat#: 126812
Name: Pumosetrag HCl
CAS#: 194093-42-0 (HCl)
Chemical Formula: C15H18ClN3O2S
Exact Mass: 339.08
Molecular Weight: 339.830
Elemental Analysis: C, 53.01; H, 5.34; Cl, 10.43; N, 12.37; O, 9.42; S, 9.43

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 153062-94-3 (free base)   194093-42-0 (HCl)  

Synonym: DDP-733; MKC-733; DDP733; MKC733; DDP 733; MKC 733; Pumosetrag hydrochloride

IUPAC/Chemical Name: (R)-7-oxo-N-(quinuclidin-3-yl)-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide hydrochloride

InChi Key: XGVADZZDFADEOO-YDALLXLXSA-N

InChi Code: InChI=1S/C15H17N3O2S.ClH/c19-13-10(7-16-11-3-6-21-14(11)13)15(20)17-12-8-18-4-1-9(12)2-5-18;/h3,6-7,9,12H,1-2,4-5,8H2,(H,16,19)(H,17,20);1H/t12-;/m0./s1

SMILES Code: O=C(C1=CNC(C=CS2)=C2C1=O)N[C@H]3CN4CCC3CC4.[H]Cl

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

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 339.83 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Choung RS, Locke GR 3rd, Francis DD, Katzka D, Winkle PJ, Orr WC, Crowell MD, Devault K, Harmsen WS, Zinsmeister AR, Talley NJ. Novel partial 5HT3 agonist pumosetrag reduces acid reflux events in uninvestigated GERD patients after a standard refluxogenic meal: a randomized, double-blind, placebo-controlled pharmacodynamic study. Neurogastroenterol Motil. 2014 Jan;26(1):13-20. doi: 10.1111/nmo.12214. PubMed PMID: 24001105.

2: Evangelista S. Drug evaluation: Pumosetrag for the treatment of irritable bowel syndrome and gastroesophageal reflux disease. Curr Opin Investig Drugs. 2007 May;8(5):416-22. Review. PubMed PMID: 17520871.

3: Chai W, Chan KY, de Vries R, van den Bogeardt AJ, de Maeyer JH, Schuurkes JA, Villalón CM, Saxena PR, Danser AH, MaassenVanDenBrink A. Inotropic effects of prokinetic agents with 5-HT(4) receptor agonist actions on human isolated myocardial trabeculae. Life Sci. 2012 Apr 9;90(13-14):538-44. doi: 10.1016/j.lfs.2012.01.009. PubMed PMID: 22326501.

4: Chetty N, Irving HR, Coupar IM. Effects of the novel 5-HT3 agonist MKC-733 on the rat, mouse and guinea pig digestive tract. Pharmacology. 2008;81(2):104-9. PubMed PMID: 17952012.

5: Tomillero A, Moral MA. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2008 Oct;30(8):643-72. PubMed PMID: 19088949.

6: Fujita T, Yokota S, Sawada M, Majima M, Ohtani Y, Kumagai Y. Effect of MKC-733, a 5-HT receptor partial agonist, on bowel motility and symptoms in subjects with constipation: an exploratory study. J Clin Pharm Ther. 2005 Dec;30(6):611-22. PubMed PMID: 16336295.

7: Bayes M, Rabasseda X, Prous JR. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2006 Apr;28(3):185-206. PubMed PMID: 16810345.

8: Coleman NS, Marciani L, Blackshaw E, Wright J, Parker M, Yano T, Yamazaki S, Chan PQ, Wilde K, Gowland PA, Perkins AC, Spiller RC. Effect of a novel 5-HT3 receptor agonist MKC-733 on upper gastrointestinal motility in humans. Aliment Pharmacol Ther. 2003 Nov 15;18(10):1039-48. PubMed PMID: 14616171.