MedKoo Cat#: 526276 | Name: SB-218795

Description:

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

SB-218795 is a potent, selective and competitive non-peptide NK3 receptor antagonist (Ki = 13 nM at hNK3). SB-218795 displays 90-fold and 7000-fold selectivity over hNK2 and hNK1 receptors respectively. SB-218795 is active in vivo, inhibiting agonist-induced pupillary constriction.

Chemical Structure

SB-218795
SB-218795
CAS#174635-53-1

Theoretical Analysis

MedKoo Cat#: 526276

Name: SB-218795

CAS#: 174635-53-1

Chemical Formula: C25H20N2O3

Exact Mass: 396.1474

Molecular Weight: 396.45

Elemental Analysis: C, 75.74; H, 5.09; N, 7.07; O, 12.11

Price and Availability

This product was removed for the commercial reasons.
Related CAS #
No Data
Synonym
SB-218795; SB218795; SB 218795.
IUPAC/Chemical Name
Benzeneacetic acid, alpha-(((2-phenyl-4-quinolinyl)carbonyl)amino)-, methyl ester, (alphaR)-
InChi Key
IUMQXQJZIHWLIN-HSZRJFAPSA-N
InChi Code
InChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)/t23-/m1/s1
SMILES Code
O=C(OC)[C@H](NC(C1=CC(C2=CC=CC=C2)=NC3=CC=CC=C13)=O)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

Preparing Stock Solutions

The following data is based on the product molecular weight 396.45 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: Medhurst AD, Hay DW, Parsons AA, Martin LD, Griswold DE. In vitro and in vivo characterization of NK3 receptors in the rabbit eye by use of selective non-peptide NK3 receptor antagonists. Br J Pharmacol. 1997 Oct;122(3):469-76. PubMed PMID: 9351503; PubMed Central PMCID: PMC1564965.