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D-NMAPPD

CAT: 0931-T22069-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T22069-03Size:10 mg
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CAS Number
35922-06-6
Target
IGluR
Related Pathways
Neuroscience, Membrane transporter/Ion channel
Bioactivity
D-NMAPPD ((1R,2R) -B13) is an acid ceramidase inhibitor and ceramide analog with potential antiproliferative activity that modulates ceramide signaling in human melanoma cells. D-NMAPPD is used in the study of colon cancer.
Smiles
[C@@H]([C@H](NC(CCCCCCCCCCCCC)=O)CO)(O)C1=CC=C(N(=O)=O)C=C1
Molecular Formula
C23H38N2O5
Molecular Weight
422.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

D-Nmappd
CAS Number35922-06-6
PubChem CID10070893
IUPAC NameN-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]tetradecanamide
Molecular FormulaC23H38N2O5
Molecular Weight422.6
XLogP6.3
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Heavy Atom Count30
Formal Charge0
Complexity461
SMILES
CCCCCCCCCCCCCC(=O)N[C@H](CO)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O
InChI
InChI=1S/C23H38N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(27)24-21(18-26)23(28)19-14-16-20(17-15-19)25(29)30/h14-17,21,23,26,28H,2-13,18H2,1H3,(H,24,27)/t21-,23-/m1/s1
InChIKey
XUSDVLHKNBOGJY-FYYLOGMGSA-N
Chemical Structure
2D Structure
2D structure of D-Nmappd
CAS: 35922-06-6
CID: 10070893
Formula: C23H38N2O5
MW: 422.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight422.6
XLogP36.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Exact Mass422.27807232
Monoisotopic Mass422.27807232
Topological Polar Surface Area115 Ų
Heavy Atom Count30
Formal Charge0
Complexity461
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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