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Chemical structure of Nicodicosapent

GC36736

Nicodicosapent

Also known as N-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl]pyridine-3-carboxamide

Nicodicosapent is a fatty acid niacin conjugate that is also an inhibitor of the sterol regulatory element binding protein (SREBP), a key regulator of cholesterol metabolism proteins such as PCSK9, HMG-CoA reductase, ATP citrate lyase, and NPC1L1

ChemicalCAS1269181-69-2MW449.63FormulaC28H39N3O2
CAS number
1269181-69-2
Molecular weight
449.63
Formula
C28H39N3O2
Solubility
DMSO： ≥ 100 mg/mL (222·41 mM); Ethanol： 2 mg/mL (4·45 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
YYQALOWPCKMFDQ-JLNKQSITSA-N
Catalogue number
GC36736
Brand
GLPBIO
Computed properties PubChem CID 50991753 · XLogP 5.7 · TPSA 71.1 Ų · H-bond donors 2
XLogP
5.7
TPSA
71.1 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
17
Heavy atoms
33

SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCNC(=O)C1=CN=CC=C1

Computed descriptors from PubChem (CID 50991753), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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