GR 159897 | CAS#158848-32-9 | NK2 receptor antagonist

MedKoo Cat#: 531854 | Name: GR-159897

Description:

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

GR 159897 is a potent, selective, non-peptide, orally active neurokinin NK2 receptor antagonist. GR 159897 competes for binding of [3H]GR100679 to hNK2-transfected CHO cells with a pKi of 9.5. Inhibits NK2 receptor-mediated contraction of guinea pig trachea with a pA2 of 8.7.

Chemical Structure

GR-159897

CAS#158848-32-9

Theoretical Analysis

MedKoo Cat#: 531854

Name: GR-159897

CAS#: 158848-32-9

Chemical Formula: C23H27FN2O2S

Exact Mass: 414.1777

Molecular Weight: 414.54

Elemental Analysis: C, 66.64; H, 6.57; F, 4.58; N, 6.76; O, 7.72; S, 7.73

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

GR 159897; GR159897; GR-159897.

IUPAC/Chemical Name

5-fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulfinyl]methyl]piperidin-1-yl]ethyl]-1H-indole

InChi Key

BANYJBHWTOJQDU-GDLZYMKVSA-N

InChi Code

InChI=1S/C23H27FN2O2S/c1-28-23(17-29(27)20-5-3-2-4-6-20)10-13-26(14-11-23)12-9-18-16-25-22-8-7-19(24)15-21(18)22/h2-8,15-16,25H,9-14,17H2,1H3/t29-/m1/s1

SMILES Code

O=[S@](CC1(OC)CCN(CCC2=CNC3=C2C=C(F)C=C3)CC1)C4=CC=CC=C4

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 414.54 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.

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: Calzetta L, Luongo L, Cazzola M, Page C, Rogliani P, Facciolo F, Maione S, Capuano A, Rinaldi B, Matera MG. Contribution of sensory nerves to LPS-induced hyperresponsiveness of human isolated bronchi. Life Sci. 2015 Jun 15;131:44-50. doi: 10.1016/j.lfs.2015.03.023. PubMed PMID: 25914087. 2: Martínez-Cutillas M, Gil V, Gallego D, Mañé N, Martín MT, Jiménez M. Mechanisms of action of otilonium bromide (OB) in human cultured smooth muscle cells and rat colonic strips. Neurogastroenterol Motil. 2013 Dec;25(12):e803-12. doi: 10.1111/nmo.12206. PubMed PMID: 23941257. 3: Onaga T, Oh-ishi T, Shimoda T, Nishimoto S, Hayashi H. Role of tachykinin and neurokinin receptors in the regulation of ovine omasal contractions. Regul Pept. 2012 Jan 10;173(1-3):64-73. doi: 10.1016/j.regpep.2011.09.007. PubMed PMID: 21971117.