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MedKoo Cat#: 525081 | Name: FR 113680

Description:

WARNING: This product is for research use only, not for human or veterinary use.

FR 113680 is a novel tripeptide substance P antagonist with NK1 receptor selectivity. The inhibitory effect of FR 113680 on SP-induced guinea-pig ileum contraction is competitive and the pA2 value is 7.53. It suggest that FR 113680 interacts selectively with the NK1 neurokinin receptor.

Chemical Structure

FR 113680
FR 113680
CAS#126088-92-4

Theoretical Analysis

MedKoo Cat#: 525081

Name: FR 113680

CAS#: 126088-92-4

Chemical Formula: C35H39N5O6

Exact Mass: 625.2900

Molecular Weight: 625.71

Elemental Analysis: C, 67.18; H, 6.28; N, 11.19; O, 15.34

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
FR 113680; FR113680; FR-113680; Ac-Thr-trp(cho)-phe-N-mebzl.
IUPAC/Chemical Name
L-Phenylalaninamide, N-acetyl-L-threonyl-1-formyl-D-tryptophyl-N-methyl-N-(phenylmethyl)-
InChi Key
GUMFSDXELXANKA-KGLGFYCJSA-N
InChi Code
InChI=1S/C35H39N5O6/c1-23(42)32(37-24(2)43)35(46)40(33(44)29(36)19-27-21-39(22-41)30-17-11-10-16-28(27)30)34(45)31(18-25-12-6-4-7-13-25)38(3)20-26-14-8-5-9-15-26/h4-17,21-23,29,31-32,42H,18-20,36H2,1-3H3,(H,37,43)/t23-,29-,31+,32+/m1/s1
SMILES Code
C([C@@H]([N@@](Cc1ccccc1)C)Cc1ccccc1)(=O)N(C([C@H](N)Cc1cn(c2ccccc12)C=O)=O)C([C@@H](NC(=O)C)[C@@H](C)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, 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

Preparing Stock Solutions

The following data is based on the product molecular weight 625.71 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
1: Caliendo G, Greco G, Grieco P, Perissutti E, Santagada V, Calignano A, Mancuso F, Novellino E. Synthesis and in vitro activities of highly potent and selective tripeptide antagonists of the neurokinin NK-1 receptor. Farmaco. 1995 Nov;50(11):755-9. PubMed PMID: 8593172. 2: Caliendo G, Calignano A, Grieco P, Mancuso F, Perissutti E, Santini A, Santagada V. Synthesis and biological activity of tripeptide FR113680 analogues containing unconventional amino acids. Biopolymers. 1995 Oct;36(4):409-14. PubMed PMID: 7578938. 3: Hagiwara D, Miyake H, Igari N, Murano K, Morimoto H, Murai M, Fujii T, Matsuo M. Design of a novel dipeptide substance P antagonist FK888. Regul Pept. 1993 Jul 2;46(1-2):332-4. PubMed PMID: 7692528. 4: Morimoto H, Yamashita M, Matsuda A, Miyake H, Fujii T. Effects of FR 113680 and FK 224, novel tachykinin receptor antagonists, on cigarette smoke-induced rat tracheal plasma extravasation. Eur J Pharmacol. 1992 Nov 24;224(1):1-5. PubMed PMID: 1280594. 5: Hagiwara D, Miyake H, Morimoto H, Murai M, Fujii T, Matsuo M. Studies on neurokinin antagonists. 2. Design and structure-activity relationships of novel tripeptide substance P antagonists, N alpha-[N alpha-(N alpha-acetyl-L-threonyl)-N1-formyl-D-tryptophyl]-N- methyl-N-(phenylmethyl)-L-phenylalaninamide and its related compounds. J Med Chem. 1992 Aug 21;35(17):3184-91. PubMed PMID: 1380560. 6: Murai M, Morimoto H, Maeda Y, Fujii T. Effects of the tripeptide substance P antagonist, FR113680, on airway constriction and airway edema induced by neurokinins in guinea-pigs. Eur J Pharmacol. 1992 Jun 24;217(1):23-9. PubMed PMID: 1383004. 7: Morimoto H, Murai M, Maeda Y, Hagiwara D, Miyake H, Matsuo M, Fujii T. FR 113680: a novel tripeptide substance P antagonist with NK1 receptor selectivity. Br J Pharmacol. 1992 May;106(1):123-6. PubMed PMID: 1380378; PubMed Central PMCID: PMC1907453. 8: Patacchini R, Santicioli P, Astolfi M, Rovero P, Viti G, Maggi CA. Activity of peptide and non-peptide antagonists at peripheral NK1 receptors. Eur J Pharmacol. 1992 Apr 29;215(1):93-8. PubMed PMID: 1381319.