CS-0777P| CAS# 840523-39-9 | S1P1 Agonist

MedKoo Cat#: 206580 | Name: CS-0777P

Description:

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

CS-0777P is a potent, selective and orally active S1P1 Agonist (sphingosine 1-phosphate receptor modulator). CS-0777 is currently in clinical trials for the treatment of multiple sclerosis (MS).

Chemical Structure

CS-0777P

CAS#840523-39-9

Theoretical Analysis

MedKoo Cat#: 206580

Name: CS-0777P

CAS#: 840523-39-9

Chemical Formula: C21H31N2O5P

Exact Mass: 0.0000

Molecular Weight: 422.46

Elemental Analysis: C, 59.71; H, 7.40; N, 6.63; O, 18.94; P, 7.33

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.

Bulk Inquiry

Related CAS #

No Data

Synonym

CS-0777P; CS 0777P; CS0777P;

IUPAC/Chemical Name

1-[5-[(3R)-3-Amino-3-methyl-4-(phosphonooxy)butyl]-1-methyl-1H-pyrrol-2-yl]-4-(4-methylphenyl)-1-butanone

InChi Key

SFFJDCSCTWIGSG-OAQYLSRUSA-N

InChi Code

InChI=1S/C21H31N2O5P/c1-16-7-9-17(10-8-16)5-4-6-20(24)19-12-11-18(23(19)3)13-14-21(2,22)15-28-29(25,26)27/h7-12H,4-6,13-15,22H2,1-3H3,(H2,25,26,27)/t21-/m1/s1

SMILES Code

O=C(C1=CC=C(CC[C@@](C)(N)COP(O)(O)=O)N1C)CCCC2=CC=C(C)C=C2

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, not in water

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 422.46 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: Inaba S, Ikeda T, Goto M, Tanaka H, Takahashi M, Iwabuchi H, Izumi T. Pharmacokinetics and disposition of CS-0777, a sphingosine 1-phosphate receptor modulator, in rats and monkeys. Xenobiotica. 2015;45(12):1063-80. doi: 10.3109/00498254.2015.1039097. Epub 2015 Jun 18. PubMed PMID: 26084376. 2: Lukas S, Patnaude L, Haxhinasto S, Slavin A, Hill-Drzewi M, Horan J, Modis LK. No differences observed among multiple clinical S1P1 receptor agonists (functional antagonists) in S1P1 receptor down-regulation and degradation. J Biomol Screen. 2014 Mar;19(3):407-16. doi: 10.1177/1087057113502234. Epub 2013 Sep 3. PubMed PMID: 24003058. 3: Sakurai H, Kubota K, Inaba S, Takanaka K, Shinagawa A. Identification of a metabolizing enzyme in human kidney by proteomic correlation profiling. Mol Cell Proteomics. 2013 Aug;12(8):2313-23. doi: 10.1074/mcp.M112.023853. Epub 2013 May 14. PubMed PMID: 23674616; PubMed Central PMCID: PMC3734587. 4: Moberly JB, Ford DM, Zahir H, Chen S, Mochizuki T, Truitt KE, Vollmer TL. Pharmacological effects of CS-0777, a selective sphingosine 1-phosphate receptor-1 modulator: results from a 12-week, open-label pilot study in multiple sclerosis patients. J Neuroimmunol. 2012 May 15;246(1-2):100-7. doi: 10.1016/j.jneuroim.2012.03.007. Epub 2012 Mar 31. PubMed PMID: 22465063. 5: Yonesu K, Kubota K, Tamura M, Inaba S, Honda T, Yahara C, Watanabe N, Matsuoka T, Nara F. Purification and identification of activating enzymes of CS-0777, a selective sphingosine 1-phosphate receptor 1 modulator, in erythrocytes. J Biol Chem. 2011 Jul 15;286(28):24765-75. doi: 10.1074/jbc.M110.217299. Epub 2011 May 25. PubMed PMID: 21613209; PubMed Central PMCID: PMC3137052. 6: Moberly JB, Rohatagi S, Zahir H, Hsu C, Noveck RJ, Truitt KE. Pharmacological modulation of peripheral T and B lymphocytes by a selective sphingosine 1-phosphate receptor-1 modulator. J Clin Pharmacol. 2012 Jul;52(7):996-1006. doi: 10.1177/0091270011408728. Epub 2011 May 12. PubMed PMID: 21566200. 7: Nishi T, Miyazaki S, Takemoto T, Suzuki K, Iio Y, Nakajima K, Ohnuki T, Kawase Y, Nara F, Inaba S, Izumi T, Yuita H, Oshima K, Doi H, Inoue R, Tomisato W, Kagari T, Shimozato T. Discovery of CS-0777: A Potent, Selective, and Orally Active S1P1 Agonist. ACS Med Chem Lett. 2011 Mar 2;2(5):368-72. doi: 10.1021/ml100301k. eCollection 2011 May 12. PubMed PMID: 24900318; PubMed Central PMCID: PMC4017972. 8: Rohatagi S, Zahir H, Moberly JB, Truitt KE, Inaba S, Shimozato T, Carrothers TJ. Use of an exposure-response model to aid early drug development of an oral sphingosine 1-phosphate receptor modulator. J Clin Pharmacol. 2009 Jan;49(1):50-62. doi: 10.1177/0091270008325672. Epub 2008 Oct 23. PubMed PMID: 18948412.