SBI-553 | CAS#1849603-72-0 | NTR1 modulator

MedKoo Cat#: 555601 | Name: SBI-553

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Description:

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

SBI-553 is a potent and brain penetrant NTR1 allosteric modulator. SBI-553 reduces binge-like ethanol consumption in mice without altering avoidance behavior or novel object recognition.

Chemical Structure

SBI-553

CAS#1849603-72-0

Theoretical Analysis

MedKoo Cat#: 555601

Name: SBI-553

CAS#: 1849603-72-0

Chemical Formula: C26H31FN4O2

Exact Mass: 450.2431

Molecular Weight: 450.56

Elemental Analysis: C, 69.31; H, 6.94; F, 4.22; N, 12.44; O, 7.10

Price and Availability

Size	Price	Availability
1mg	USD 300.00	2 Weeks
5mg	USD 600.00	2 Weeks
10mg	USD 900.00	2 Weeks
25mg	USD 1,350.00	2 Weeks

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Related CAS #

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Synonym

SBI-553; SBI 553; SBI553;

IUPAC/Chemical Name

2-((2-(1-Fluorocyclopropyl)-4-(4-(2-methoxyphenyl)piperidin-1-yl)quinazolin-6-yl)(methyl)amino)ethan-1-ol

InChi Key

BLWXTJQMEBQCIZ-UHFFFAOYSA-N

InChi Code

InChI=1S/C26H31FN4O2/c1-30(15-16-32)19-7-8-22-21(17-19)24(29-25(28-22)26(27)11-12-26)31-13-9-18(10-14-31)20-5-3-4-6-23(20)33-2/h3-8,17-18,32H,9-16H2,1-2H3

SMILES Code

OCCN(C1=CC2=C(N3CCC(C4=CC=CC=C4OC)CC3)N=C(C5(F)CC5)N=C2C=C1)C

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

>3 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

Neurotensin receptor 1 (NTR1) is a G protein coupled receptor that is widely expressed throughout the central nervous system where it acts as a neuromodulator. Neurotensin receptors have been implicated in a wide variety of CNS disorders, but despite extensive efforts to develop small molecule ligands there are few reports of such compounds.

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 450.56 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: Vogt H, Shinkwin P, Huber ME, Staffen N, Hübner H, Gmeiner P, Schiedel M, Weikert D. Development of a Fluorescent Ligand for the Intracellular Allosteric Binding Site of the Neurotensin Receptor 1. ACS Pharmacol Transl Sci. 2024 Apr 18;7(5):1533-1545. doi: 10.1021/acsptsci.4c00086. PMID: 38751637; PMCID: PMC11092115. 2: Gereau GB, Zhou D, Van Voorhies K, Tyler RE, Campbell J, Murray JG, Alvarez- Pamir A, Wykoff LA, Companion MA, Jackson MR, Olson SH, Barak LS, Slosky LM, Vetreno RP, Besheer J, McElligott ZA. β-arrestin-biased Allosteric Modulator of Neurotensin Receptor 1 Reduces Ethanol Drinking and Responses to Ethanol Administration in Rodents. bioRxiv [Preprint]. 2024 Apr 13:2024.04.10.588903. doi: 10.1101/2024.04.10.588903. PMID: 38645173; PMCID: PMC11030371. 3: Duan J, Liu H, Zhao F, Yuan Q, Ji Y, Cai X, He X, Li X, Li J, Wu K, Gao T, Zhu S, Lin S, Wang MW, Cheng X, Yin W, Jiang Y, Yang D, Xu HE. GPCR activation and GRK2 assembly by a biased intracellular agonist. Nature. 2023 Aug;620(7974):676-681. doi: 10.1038/s41586-023-06395-9. Epub 2023 Aug 2. PMID: 37532940. 4: Singhal SM, Zell V, Faget L, Slosky LM, Barak LS, Caron MG, Pinkerton AB, Hnasko TS. Neurotensin receptor 1-biased ligand attenuates neurotensin-mediated excitation of ventral tegmental area dopamine neurons and dopamine release in the nucleus accumbens. Neuropharmacology. 2023 Aug 15;234:109544. doi: 10.1016/j.neuropharm.2023.109544. Epub 2023 Apr 11. PMID: 37055008; PMCID: PMC10192038. 5: Krumm BE, DiBerto JF, Olsen RHJ, Kang HJ, Slocum ST, Zhang S, Strachan RT, Huang XP, Slosky LM, Pinkerton AB, Barak LS, Caron MG, Kenakin T, Fay JF, Roth BL. Neurotensin Receptor Allosterism Revealed in Complex with a Biased Allosteric Modulator. Biochemistry. 2023 Apr 4;62(7):1233-1248. doi: 10.1021/acs.biochem.3c00029. Epub 2023 Mar 14. PMID: 36917754. 6: Slosky LM, Caron MG, Barak LS. Biased Allosteric Modulators: New Frontiers in GPCR Drug Discovery. Trends Pharmacol Sci. 2021 Apr;42(4):283-299. doi: 10.1016/j.tips.2020.12.005. Epub 2021 Feb 10. PMID: 33581873; PMCID: PMC9797227. 7: Slosky LM, Bai Y, Toth K, Ray C, Rochelle LK, Badea A, Chandrasekhar R, Pogorelov VM, Abraham DM, Atluri N, Peddibhotla S, Hedrick MP, Hershberger P, Maloney P, Yuan H, Li Z, Wetsel WC, Pinkerton AB, Barak LS, Caron MG. β-Arrestin-Biased Allosteric Modulator of NTSR1 Selectively Attenuates Addictive Behaviors. Cell. 2020 Jun 11;181(6):1364-1379.e14. doi: 10.1016/j.cell.2020.04.053. Epub 2020 May 28. PMID: 32470395; PMCID: PMC7466280. 8: Pinkerton AB, Peddibhotla S, Yamamoto F, Slosky LM, Bai Y, Maloney P, Hershberger P, Hedrick MP, Falter B, Ardecky RJ, Smith LH, Chung TDY, Jackson MR, Caron MG, Barak LS. Discovery of β-Arrestin Biased, Orally Bioavailable, and CNS Penetrant Neurotensin Receptor 1 (NTR1) Allosteric Modulators. J Med Chem. 2019 Sep 12;62(17):8357-8363. doi: 10.1021/acs.jmedchem.9b00340. Epub 2019 Aug 20. PMID: 31390201; PMCID: PMC7003992.