1.0 2011-09-21 01:58:29 UTC 2025-11-19 02:57:58 UTC FDB029615 N,N-Dimethylsphingosine N,N-Dimethylsphingosine is an inhibitor of sphingosine kinase. It is a natural metabolite of sphingosine in some cancer cell lines and tissues.1 N,N-Dimethylsphingosine inhibited U937 cell sphingosine kinase with a Ki value of 3.1 ?M.2 N,N-Dimethylsphingosine induces apoptosis, but it is not an inhibitor of protein kinase C. [HMDB] (S-(R,S-(E)))-2-(dimethylamino)-4-Octadecene-1,3-diol DMS N,N-dimethyl-D-erythro-sphingosine N,N-dimethyl-D-erythro-sphingosine] N,N-dimethyl-erythro-sphingosine N,N-Dimethylsphing-4-enine N,N-dimethylsphingosine N,N-DMS C20H41NO2 327.545 327.313729561 (2S,3R,4E)-2-(dimethylamino)octadec-4-ene-1,3-diol N,N-dimethylsphingosine 122314-67-4 CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1 YRXOQXUDKDCXME-YIVRLKKSSA-N belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom. 1,2-aminoalcohols Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Aliphatic acyclic compounds Hydrocarbon derivatives Organopnictogen compounds Primary alcohols Secondary alcohols Trialkylamines 1,2-aminoalcohol Alcohol Aliphatic acyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Organopnictogen compound Primary alcohol Secondary alcohol Tertiary aliphatic amine Tertiary amine N-methylated sphingoid bases N-methylated sphingoid bases aminodiol sphingoid tertiary amino compound Solid logp 5.33 ALOGPS logs -5.28 ALOGPS solubility 1.73e-03 g/l ALOGPS logp 5.38 ChemAxon pka_strongest_acidic 14.1 ChemAxon pka_strongest_basic 8.91 ChemAxon iupac (2S,3R,4E)-2-(dimethylamino)octadec-4-ene-1,3-diol ChemAxon average_mass 327.545 ChemAxon mono_mass 327.313729561 ChemAxon smiles CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)N(C)C ChemAxon formula C20H41NO2 ChemAxon inchi InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1 ChemAxon inchikey YRXOQXUDKDCXME-YIVRLKKSSA-N ChemAxon polar_surface_area 43.7 ChemAxon refractivity 101.96 ChemAxon polarizability 43.62 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14449 Specdb::CMs 40148 Specdb::CMs 134396 Specdb::CMs 142130 Specdb::MsMs 297895 Specdb::MsMs 297896 Specdb::MsMs 297897 Specdb::MsMs 339541 Specdb::MsMs 339542 Specdb::MsMs 339543 Specdb::MsMs 2387309 Specdb::MsMs 2387310 Specdb::MsMs 2387311 Specdb::MsMs 2577882 Specdb::MsMs 2577883 Specdb::MsMs 2577884 HMDB13645 607642 #<Reference:0x000055ce32d767d8> #<Reference:0x000055ce32d76620> #<Reference:0x000055ce32d76468> #<Reference:0x000055ce32d762b0>