Sphinganine

HCID 91486CAS 3102-56-5
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Grundinformationen

Standard-SMILES
CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO
InChIKey
OTKJDMGTUTTYMP-ZWKOTPCHSA-N
Summenformel
C18H39NO2
Durchschnittliche Molmasse
301,5 g/mol
Monoisotopische Masse
301,29807949

Namen und Bezeichner

Bevorzugter Name
Sphinganine
IUPAC
(2S,3R)-2-aminooctadecane-1,3-diol
Englischer Name
DL-erythro-Dihydrosphingosine
Summenformel
C18H39NO2
Molmasse
301.51

Namen und Synonyme

Sphinganine764-22-7(2S,3R)-2-aminooctadecane-1,3-diolD-erythro-SphinganineDihydrosphingosineOctadecasphinganineC18-DihydrosphingosineD-erythro-C18-DihydrosphingosineD-erythro-2-Amino-1,3-octadecanediolD-erythro-1,3-Dihydroxy-2-aminooctadecaneSPC 1028601,3-Octadecanediol, 2-amino-, (2S,3R)-
Weitere Namen anzeigen
D-ERYTHRO-DIHYDROSPHINGOSINEDL-ERYTHRO-1,3-DIHYDROXY-2-AMINOOCTADECANEDL-SPHINGANINED,L-ERYTHRO-SPHINGANINEDL-ERYTHRO-DIHYDROSPHINGOSINEDIHYDROSPHINGOSINE, D-ERYTHROD-ERYTHRO-SPHINGOSINE, DIHYDRO-D-ERTYTHRO-SPHINGANINE, C18 CHAIN
2-Amino-1,3-dihydroxyoctadecaneYT0ZSD64HM1,3-Octadecanediol, 2-amino-, D-erythro-1,3-Octadecanediol, 2-amino-, (R-(R*,S*))-CHEBI:16566DTXSID5010165681,3-Octadecanediol, 2-amino-, [R-(R*,S*)]-d18:0

Datenbank-Bezeichner

CAS
3102-56-5、764-22-7
PubChem CID
91486
DTXSID
DTXSID501016568
ChEMBL
CHEMBL448741
ChEBI
CHEBI:16566
UNII
YT0ZSD64HM
EC Number
212-116-0、608-571-3
Nikkaji
J14.383I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,8
Polarare Oberfläche (TPSA)
66,5 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
16
Schwere Atome
21

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid
Collision Cross Section · 3 Einträge

188 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

189 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；191.1 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

188.9 Ų [M+H]+；190.8 Ų [M+Na]+

Physikochemische Eigenschaften

Schmelzpunkt
70 · 70-72°C
Siedepunkt
446.2 · 446.2±25.0 °C(Predicted)
Dichte
0.927 · 0.927±0.06 g/cm3(Predicted)
storage temp.
20 °C · −20°C
Löslichkeit
chloroform/methanol (9:1): 20 mg/mL, clear, colorless to faintly yellow
pka
12.57 · 12.57±0.45(Predicted)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk
3

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Tissue LocationsEpidermis；Fibroblasts；Intestine；Kidney；Liver；Placenta；Platelet；Spleen；Thyroid Gland
Cellular LocationsCytoplasm；Endoplasmic reticulum；Extracellular；Membrane
Metabolite PathwaysFabry disease；Gaucher Disease；Globoid Cell Leukodystrophy；Krabbe disease；Metachromatic Leukodystrophy (MLD)；Starch and sucrose metabolism

Verwendung und Herstellung

Household ProductsInformation on 5 consumer products that contain Sphinganine in the following categories is provided:；• Personal Care
Anwendungen · 2 Einträge

BeschreibungDL-erythro Sphinganine (d18:0) is a precursor of ceramide and sphingosine as well as a substrate of sphingosine kinases, which generate sphinganine-1-phosphate . Sphinganine levels increase significantly in response to certain mycotoxins, including fumonisins as well as in some cancers. This product is a mixture of sphinganine (d18:0) , L-erythro sphinganine (d18:0) , D-threo sphinganine (d18:0) , and L-threo sphinganine (d18:0). [Matreya, LLC. Catalog No. 1324]

VerwendenDL-erythro-Dihydrosphingosine is an inhibitor of PKC (protein kinase C). This compound also blocks PLA2 (phospholipases A2) and the D-sphingosine precursor.

Anbieter39 Anbieter

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
Aladdin Scientific[email protected]

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