Pemedolac

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MedKoo CAT#: 524956

CAS#: 114716-16-4 (free acid)

Description: Pemedolac, also known as Dexpemedolac and AY-30,715, is a potent analgesic agent. Pemedolac exhibited potent analgesic effects against chemically induced pain in rats and mice and against inflammatory pain in rats. Pemedolac differed from standard nonsteroidal anti-inflammatory drugs (NSAIDs) in that the doses which produced analgesia were much lower than those required for either anti-inflammatory or gastric irritant effects.

Chemical Structure

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Pemedolac
CAS# 114716-16-4 (free acid)
Instruction

Theoretical Analysis

MedKoo Cat#: 524956
Name: Pemedolac
CAS#: 114716-16-4 (free acid)
Chemical Formula: C22H23NO3
Exact Mass: 349.17
Molecular Weight: 349.420
Elemental Analysis: C, 75.62; H, 6.63; N, 4.01; O, 13.74

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 #: 148129-69-5 (sodium)   114716-16-4 (free acid)   114030-44-3   114030-45-4    

Synonym: AY-30,715; AY 30,715; AY30,715; AY-30715; AY 30715; AY30715; pemedolac; WAY-PEM-420; Dexpemedolac

IUPAC/Chemical Name: (1S,4R)-4-Benzyl-1-ethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetic acid

InChi Key: BUUODSZYUAZDIF-AOMKIAJQSA-N

InChi Code: InChI=1S/C22H23NO3/c1-2-22(13-19(24)25)21-20(17-10-6-7-11-18(17)23-21)16(14-26-22)12-15-8-4-3-5-9-15/h3-11,16,23H,2,12-14H2,1H3,(H,24,25)/t16-,22-/m0/s1

SMILES Code: CC[C@@]1(CC(=O)O)OC[C@H](Cc2ccccc2)c3c1[nH]c4ccccc34

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, not in water

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: In acute anti-inflammatory tests, pemedolac exhibited only weak activity as evidenced by an ED50 approximately 100 mg/kg p.o. in the carrageenan paw edema procedure. This demonstrates for pemedolac a separation of at least 50-fold between the acute analgesic and anti-inflammatory activities, which was greater than that observed with reference NSAIDs. The compound also had a low ulcerogenic liability with an acute UD50 = 107 mg/kg p.o. and a subacute UD50 estimated to be 140 mg/kg/day p.o.

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 349.42 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: Catalano A, Iacopetta D, Ceramella J, Saturnino C, Sinicropi MS. A Comprehensive Review on Pyranoindole-containing Agents. Curr Med Chem. 2022;29(21):3667-3683. doi: 10.2174/0929867328666211206111058. PMID: 34872472.


2: Chau T, Walter T, Zimmerman J, Hartman D, Ochalski S, Weichman B. Analgesic activities of PEM-420, the active eutomer of pemedolac. Agents Actions. 1993;39 Spec No:C27-9. doi: 10.1007/BF01972710. PMID: 8273576.


3: Chau TT, Weichman BM. Pemedolac: a novel and long-acting non-narcotic analgesic. J Pharmacol Exp Ther. 1989 Mar;248(3):907-15. PMID: 2703977.


4: Mobilio D, Humber LG, Katz AH, Demerson CA, Hughes P, Brigance R, Conway K, Shah U, Williams G, Labbadia F, et al. Structure-activity relationships among analogues of pemedolac, cis-1-ethyl-1,3,4,9-tetrahydro-4-(phenylmethyl)pyrano[3,4-b]indo le-1-a cetic acid, a potent analgesic agent. J Med Chem. 1988 Nov;31(11):2211-7. doi: 10.1021/jm00119a024. PMID: 3263504.


5: Katz AH, Demerson CA, Shaw CC, Asselin AA, Humber LG, Conway KM, Gavin G, Guinosso C, Jensen NP, Mobilio D, et al. Synthesis and analgesic activity of pemedolac (cis-1-ethyl-1,3,4,9-tetrahydro-4-(phenylmethyl)pyrano[3,4-b]ind ole-1- acetic acid). J Med Chem. 1988 Jun;31(6):1244-50. doi: 10.1021/jm00401a029. PMID: 3373493.