MedKoo Cat#: 530563 | Name: CS-2100
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Description:

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

CS-2100 is a potent, orally active and S1P3-sparing S1P1 agonist. CS-2100 had >5000-fold greater agonist activity for human S1P(1) (EC(50); 4.0 nM) relative to S1P(3) (EC(50); >20,000 nM). CS-2100 is efficacious in the adjuvant-induced arthritis model in rats (ID(50); 0.44 mg/kg). CS-2100 showed potent efficacy in various animal disease models, it was also revealed that the central 1,2,4-oxadiazole ring of CS-2100 was decomposed by enterobacteria in intestine of rats and monkeys, implicating the latent concern about an external susceptibility in its metabolic process in the upcoming clinical studies.

Chemical Structure

CS-2100
CS-2100
CAS#913827-99-3

Theoretical Analysis

MedKoo Cat#: 530563

Name: CS-2100

CAS#: 913827-99-3

Chemical Formula: C25H23N3O4S

Exact Mass: 461.1409

Molecular Weight: 461.54

Elemental Analysis: C, 65.06; H, 5.02; N, 9.10; O, 13.87; S, 6.95

Price and Availability

Size Price Availability Quantity
25mg USD 750.00 2 Weeks
100mg USD 1,650.00 2 Weeks
1g USD 5,450.00 2 Weeks
2g USD 8,450.00 2 Weeks
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Related CAS #
No Data
Synonym
CS-2100; CS 2100; CS2100.
IUPAC/Chemical Name
1-[[4-Ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl]methyl]-3-azetidinecarboxylic acid
InChi Key
DWVJASHDNJMDNH-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
SMILES Code
O=C(C1CN(CC2=CC(CC)=C(C3=NOC(C4=CC=C(OC5=CC=CC=C5)C=C4)=N3)S2)C1)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
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 461.54 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.

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: Legnani C, Cini M, Frascaro M, Rodorigo G, Sartori M, Cosmi B. Diagnostic Accuracy of a New d-Dimer Assay (Sclavo Auto d-Dimer) for Exclusion of Deep Vein Thrombosis in Symptomatic Outpatients. Clin Appl Thromb Hemost. 2017 Apr;23(3):221-228. doi: 10.1177/1076029616649436. Epub 2016 Jul 9. PubMed PMID: 27193029. 2: Nakamura T, Asano M, Sekiguchi Y, Mizuno Y, Tamaki K, Nara F, Kawase Y, Yabe Y, Nakai D, Kamiyama E, Urasaki-Kaneno Y, Shimozato T, Doi-Komuro H, Kagari T, Tomisato W, Inoue R, Nagasaki M, Yuita H, Oguchi-Oshima K, Kaneko R, Nishi T. Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. Eur J Med Chem. 2012 May;51:92-8. doi: 10.1016/j.ejmech.2012.02.022. Epub 2012 Feb 25. PubMed PMID: 22405291. 3: Nakamura T, Asano M, Sekiguchi Y, Mizuno Y, Tamaki K, Kimura T, Nara F, Kawase Y, Shimozato T, Doi H, Kagari T, Tomisato W, Inoue R, Nagasaki M, Yuita H, Oguchi-Oshima K, Kaneko R, Watanabe N, Abe Y, Nishi T. Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist. Bioorg Med Chem Lett. 2012 Feb 15;22(4):1788-92. doi: 10.1016/j.bmcl.2011.12.019. Epub 2012 Jan 2. PubMed PMID: 22264485.