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Product Code

TRC-B419852

Product Format

Neat

Molecular Formula

C27 13C2 H50 D2 N3 O7 P

Molecular Weight

589.72

Unlabelled CAS Number

161090-79-5

Price and availability

48-hour USA dispatch time
Freight restricted.

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Product Information

Chemical Data

Analyte Name

Bis(2-cyanoethyl)-1-(N-tert-butyloxycarbonyl)-D-erythro-D-sphingosine-1-phosphate-13C2, D2

Molecular Formula

C27 13C2 H50 D2 N3 O7 P

Molecular Weight

589.72

Accurate Mass

589.37

SMILES

CCCCCCCCCCCCC/C=C/[C@@H](O)[13C@@H](NC(OC(C)(C)C)=O)[13C]([2H])(OP(OCCC#N)(OCCC#N)=O)[2H]

InChI

InChI=1S/C29H52N3O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27(33)26(32-28(34)39-29(2,3)4)25-38-40(35,36-23-18-21-30)37-24-19-22-31/h17,20,26-27,33H,5-16,18-19,23-25H2,1-4H3,(H,32,34)/b20-17+/t26-,27+/m0/s1/i25+1D2,26+1

IUPAC

tert-butyl ((2S,3R,E)-1-((bis(2-cyanoethoxy)phosphoryl)oxy)-3-hydroxyoctadec-4-en-2-yl-1,2-13C2-1,1-d2)carbamate

Unlabelled CAS Number

161090-79-5

SIL Type

Carbon, Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Intermediate for a labelled putative lipid second messenger; found to inhibit cellular mobility of melanoma cells at very low concentrations with no toxic effects thereby making it a possible agent for prevention of tumor cell metastasis and inflammatory processes; mobilizes intracellular calcium stores; decreases cellular cAMP; activates phospholipase D; does not inhibitprotein kinase C.

References: Zhang, H., et al.: J. Cell Biol., 114, 155 (1991) Sadahira, Y., et al.: Proc. Natl. Acad. Sci. USA (1992), Cuvillier, O., et al.: Nature, 381, 800 (1996)

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