CS1p1 HCl | CAS# | S1PR1 ligand

MedKoo Cat#: 124666 | Name: CS1p1 HCl

Description:

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

CS1P1 is a novel S1PR1-specific ligand, binding to S1PR1 in human frontal cortex tissue. [3H]CS1P1 binds to S1PR1 in human frontal cortex tissue with a Kd of 3.98 nM and a Bmax of 172.5 nM. [11C]CS1P1 in a nonhuman primate (NHP) shows a standardized uptake value of 2.4 in the NHP brain, with test-retest variability of 0.23% among six different NHPs. [11C]CS1P1 was stable in vivo. [11C]CS1P1 is a promising radioligand for PET imaging of S1PR1 in the CNS.

Chemical Structure

CS1p1 HCl

CAS#CS1p1 HCl

Theoretical Analysis

MedKoo Cat#: 124666

Name: CS1p1 HCl

CAS#: CS1p1 HCl

Chemical Formula: C27H24ClF4N3O3

Exact Mass:

Molecular Weight: 549.95

Elemental Analysis: C, 58.97; H, 4.40; Cl, 6.45; F, 13.82; N, 7.64; O, 8.73

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 #

2285465-63-4 (C11-labeled) 1246526-29-3 (free base) CS1p1 HCl

Synonym

CS1p1 HCl, CS1p1 hydrochloride; TZ3321; TZ-3321; TZ 3321;

IUPAC/Chemical Name

3-((2-fluoro-4-(5-(2'-methyl-2-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-1,2,4-oxadiazol-3-yl)benzyl)(methyl)amino)propanoic acid hydrochloride

InChi Key

NGYBKMAYQXKFBJ-UHFFFAOYSA-N

InChi Code

InChI=1S/C27H23F4N3O3.ClH/c1-16-5-3-4-6-20(16)21-10-9-18(13-22(21)27(29,30)31)26-32-25(33-37-26)17-7-8-19(23(28)14-17)15-34(2)12-11-24(35)36;/h3-10,13-14H,11-12,15H2,1-2H3,(H,35,36);1H

SMILES Code

O=C(O)CCN(CC1=CC=C(C2=NOC(C3=CC=C(C4=CC=CC=C4C)C(C(F)(F)F)=C3)=N2)C=C1F)C.[H]Cl

Appearance

To be determined

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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

Sphingosine-1-phosphate receptor 1 (S1PR1) is ubiquitously expressed among all tissues and plays key roles in many physiological and cellular processes. In the central nervous system (CNS), S1PR1 is expressed in different types of cells including neurons, astrocytes, and oligodendrocyte precursor cells. S1PR1 has been recognized as a novel therapeutic target in multiple sclerosis and other diseases

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 549.95 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: Qiu L, Jiang H, Zhou C, Wang J, Yu Y, Zhao H, Huang T, Gropler R, Perlmutter JS, Benzinger TLS, Tu Z. Discovery of a Promising Fluorine-18 Positron Emission Tomography Radiotracer for Imaging Sphingosine-1-Phosphate Receptor 1 in the Brain. J Med Chem. 2023 Apr 13;66(7):4671-4688. doi: 10.1021/acs.jmedchem.2c01752. Epub 2023 Mar 16. PMID: 36926861. 2: Chand GB, Jiang H, Miller JP, Rhodes CH, Tu Z, Wong DF. Differential Sphingosine-1-Phosphate Receptor-1 Protein Expression in the Dorsolateral Prefrontal Cortex Between Schizophrenia Type 1 and Type 2. Front Psychiatry. 2022 Mar 8;13:827981. doi: 10.3389/fpsyt.2022.827981. PMID: 35350429; PMCID: PMC8957823. 3: Brier MR, Hamdi M, Rajamanikam J, Zhao H, Mansor S, Jones LA, Rahmani F, Jindal S, Koudelis D, Perlmutter JS, Wong DF, Nickels M, Ippolito JE, Gropler RJ, Schindler TH, Laforest R, Tu Z, Benzinger TLS. Phase 1 Evaluation of 11C-CS1P1 to Assess Safety and Dosimetry in Human Participants. J Nucl Med. 2022 Nov;63(11):1775-1782. doi: 10.2967/jnumed.121.263189. Epub 2022 Mar 24. PMID: 35332093; PMCID: PMC9635683. 4: Qiu L, Jiang H, Yu Y, Gu J, Wang J, Zhao H, Huang T, Gropler RJ, Klein RS, Perlmutter JS, Tu Z. Radiosynthesis and evaluation of a fluorine-18 radiotracer [18F]FS1P1 for imaging sphingosine-1-phosphate receptor 1. Org Biomol Chem. 2022 Feb 2;20(5):1041-1052. doi: 10.1039/d1ob02225c. PMID: 35029272; PMCID: PMC8970350. 5: Jiang H, Joshi S, Liu H, Mansor S, Qiu L, Zhao H, Whitehead T, Gropler RJ, Wu GF, Cross AH, Benzinger TLS, Shoghi KI, Perlmutter JS, Tu Z. InVitro and In Vivo Investigation of S1PR1 Expression in the Central Nervous System Using [3H]CS1P1 and [11C]CS1P1. ACS Chem Neurosci. 2021 Oct 6;12(19):3733-3744. doi: 10.1021/acschemneuro.1c00492. Epub 2021 Sep 13. PMID: 34516079; PMCID: PMC8605766. 6: Luo Z, Gu J, Dennett RC, Gaehle GG, Perlmutter JS, Chen DL, Benzinger TLS, Tu Z. Automated production of a sphingosine-1 phosphate receptor 1 (S1P1) PET radiopharmaceutical [11C]CS1P1 for human use. Appl Radiat Isot. 2019 Oct;152:30-36. doi: 10.1016/j.apradiso.2019.06.029. Epub 2019 Jun 20. PMID: 31280104; PMCID: PMC6708718. 7: Liu H, Laforest R, Gu J, Luo Z, Jones LA, Gropler RJ, Benzinger TLS, Tu Z. Acute Rodent Tolerability, Toxicity, and Radiation Dosimetry Estimates of the S1P1-Specific Radioligand [11C]CS1P1. Mol Imaging Biol. 2020 Apr;22(2):285-292. doi: 10.1007/s11307-019-01380-z. PMID: 31165387; PMCID: PMC6893109.