Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Conservar a -20°C Ships Hielera + almohadillas de hielo Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
El FTY720 (S)-fosfato es un nuevo modulador inmunitario que prolonga la supervivencia de los trasplantes de aloinjertos en numerosos modelos al inhibir la emigración de linfocitos de los órganos linfoides. Fosforilado por esfingosina quinasas in vivo, FTY720 actúa entonces como un potente agonista en EDG-1, EDG-3, EDG-4 y EDG-5 (gen diferencial endotelial). El (S)-fosfato de FTY720 es el único estereoisómero formado por la fosforilación de FTY720 in vivo, según se ha determinado en ratas y seres humanos. Presenta valores Ki de 2,1, 5,9, 23 y 2,2 nM para EDG-1,-3,-4 y -5, respectivamente, mientras que el enantiómero R se une con una afinidad entre 5 y 130 veces menor. El FTY720 (S)-fosfato provoca la internalización de S1P1 en los linfocitos, anulando la salida de linfocitos de los órganos linfoides dependiente de S1P. También mejora la función de la barrera endotelial, estimula la actividad del transportador de esfingosina Abcb1 y del transportador de leucotrieno C4 Abcc16 e inhibe la actividad de la fosfolipasa A2 citosólica.
FTY720 (S)-fosfato es un agonista del receptor 1 de S1P (S1PR1) que puede utilizarse en el estudio de la inflamación aguda, como la lesión pulmonar aguda 添加包装
| pKa | pKa: 1.73 (Predicted), pKa: 10.04 (Predicted) |
|---|---|
| Datos Ki | SIP1: Ki= 2.1 nM; SIP5: Ki= 2.2 nM; SIP3: Ki= 5.9 nM; SIP4: Ki= 23 nM |
| Sonrisas canónicas | CCCCCCCCC1=CC=C(C=C1)CCC(CO)(COP(=O)(O)O)N |
|---|---|
| IUPAC Name | [(2S)-2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate |
| InChIKey | LRFKWQGGENFBFO-IBGZPJMESA-N |
| INCHI | 1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1 |
| Isómeros SMILES | CCCCCCCCC1=CC=C(C=C1)CC[C@](CO)(COP(=O)(O)O)N |
| Peso molecular | 387.45 |
| Reaxy-Rn | 9732428 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9732428&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Organic phosphoric acids and derivatives |
| Subclass | Phosphate esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phosphoethanolamines |
| Alternative Parents | Monoalkyl phosphates Aralkylamines Benzene and substituted derivatives 1,2-aminoalcohols Primary alcohols Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phosphoethanolamine - Monoalkyl phosphate - Aralkylamine - Monocyclic benzene moiety - Alkyl phosphate - Benzenoid - 1,2-aminoalcohol - Organic oxygen compound - Alcohol - Primary amine - Primary alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phosphoethanolamines. These are compounds containing a phosphate linked to the second carbon of an ethanolamine. |
| External Descriptors | Not available |
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| Solubilidad | Soluble in chloroform (~0.5 mg/ml), DMSO, and methanol (sparingly). Insoluble in water(at 25° C). |
|---|---|
| Índice de refracción | n20D1.54 (Predicted) |
| Punto de ebullición (°C) | 584.24° C at 760 mmHg (Predicted) |
| Punto de fusión (°C) | 195-198° C |
| Peso molecular | 387.500 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 14 |
| Exact Mass | 387.217 Da |
| Monoisotopic Mass | 387.217 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 409.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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