MedKoo Cat#: 530506 | Name: SPM-242

Description:

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

SPM-242 is an orthosteric agonist of S1P and a novel bitopic antagonist. Sphingosine 1-phosphate (S1P) is a lysophospholipid signaling molecule that regulates important biological functions, including lymphocyte trafficking and vascular development, by activating G protein-coupled receptors for S1P, namely, S1P(1) through S1P(5).

Chemical Structure

SPM-242
SPM-242
CAS#2733813-95-9 (s-isomer)

Theoretical Analysis

MedKoo Cat#: 530506

Name: SPM-242

CAS#: 2733813-95-9 (s-isomer)

Chemical Formula: C17H21ClNO6PS

Exact Mass: 433.0516

Molecular Weight: 433.84

Elemental Analysis: C, 47.07; H, 4.88; Cl, 8.17; N, 3.23; O, 22.13; P, 7.14; S, 7.39

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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Synonym
SPM-242; SPM 242; SPM242.
IUPAC/Chemical Name
(s)-2-amino-4-(2-chloro-4-((3-hydroxyphenyl)thio)phenyl)-2-(hydroxymethyl)butyl dihydrogen phosphate
InChi Key
YKFYJMGZQBDOPG-KRWDZBQOSA-N
InChi Code
InChI=1S/C17H21ClNO6PS/c18-16-9-15(27-14-3-1-2-13(21)8-14)5-4-12(16)6-7-17(19,10-20)11-25-26(22,23)24/h1-5,8-9,20-21H,6-7,10-11,19H2,(H2,22,23,24)/t17-/m0/s1
SMILES Code
O=P(O)(OC[C@](CO)(N)CCC1=CC=C(SC2=CC=CC(O)=C2)C=C1Cl)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 433.84 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: Jo E, Bhhatarai B, Repetto E, Guerrero M, Riley S, Brown SJ, Kohno Y, Roberts E, Schürer SC, Rosen H. Novel selective allosteric and bitopic ligands for the S1P(3) receptor. ACS Chem Biol. 2012 Dec 21;7(12):1975-83. doi: 10.1021/cb300392z. PubMed PMID: 22971058; PubMed Central PMCID: PMC3528827.