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Dimethylsphingosine

Dimethylsphingosine structure

CAS No:
119567-63-4
Formula:
C20H41NO2
Chemical Name:
Dimethylsphingosine
Synonyms:
4-Octadecene-1,3-diol,2-(dimethylamino)-,(2S,3R,4E)-;4-Octadecene-1,3-diol,2-(dimethylamino)-,[R-[R*,S*-(E)]]-;(2S,3R,4E)-2-(Dimethylamino)-4-octadecene-1,3-diol;N,N-Dimethylsphingosine;Dimethylsphingosine;N,N-Dimethyl-D-erythro-sphingosine;D-erythro-N,N-Dimethylsphingosine;N,N-Dimethylsphinogsine;135467-28-6
Categories:
Biochemical Engineering > Chinese Herbs

Description

Colourless to Light Yellow Oil

Solid

N,N-dimethylsphingosine is a sphingoid that is sphingosine in which the two amino hydrogens are replaced by amino groups. It has a role as a metabolite and an EC 2.7.1.91 (sphingosine kinase) inhibitor. It is an aminodiol, a sphingoid and a tertiary amino compound. It derives from a sphingosine.

Dimethylsphingosine Basic Attributes

Molecular Weight：

327.55

Exact Mass：

327.55

Characteristics

PSA：

43.70000

XLogP3：

7.64

Appearance：

colorless

Density：

0.921±0.06 g/cm3(Predicted)

Boiling Point：

447.2±45.0 °C(Predicted)

Flash Point：

14 °C

Refractive Index：

1.483

Storage Conditions：

−20°C

Safety Information

Transport codes：

UN 1170 3/PG 2

wgk germany：

hazard class code：

safety instructions：

7-16

Marks：

Drug Information

MeSH：

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

MeSH Entry Terms：

(2R,3S,E)-2-(dimethylamino)octadec-4-ene-1,3-diol

Dimethylsphingosine Use and Manufacturing

Uses

N,N-Dimethylsphingosine is an inhibitor of sphingosine kinase (SPHK). It is a natural metabolite of sphingosine in some cancer cell lines and tissues. N,N-Dimethylsphingosine inhibited U937 cell SPHK with a Ki value of 3.1 μM. N,N-Dimethylsphingosine induces apoptosis, but it is not an inhibitor of protein kinase C.

Use Classification：

Lipids -> Sphingolipids [SP] -> Sphingoid bases [SP01] -> N-methylated sphingoid bases [SP0107]

Computed Properties

Molecular Weight:327.5
XLogP3:6.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:16
Exact Mass:327.313729551
Monoisotopic Mass:327.313729551
Topological Polar Surface Area:43.7
Heavy Atom Count:23
Complexity:266
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Dimethylsphingosine

CAS No.: 119567-63-4

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Guide of Dimethylsphingosine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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