Products for Research Use Only

Nicodicosapent

CAT: 0013-GTR19203891-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203891-01Size:2 mg
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Description
Nicodicosapent is a fatty acid-niacin conjugate that acts as a sterol regulatory element-binding protein (SREBP) inhibitor. By targeting this key transcriptional regulator, it serves as a valuable research tool for studying cholesterol metabolism and related pathways in both cellular and animal models.
CAS Number
1269181-69-2
Field of Research
Cell Biology, Metabolism Research
Smiles
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC (=O) NCCNC (=O) c1cccnc1
Molecular Formula
C28H39N3O2
Molecular Weight
449.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nicodicosapent

Nicodicosapent is a small molecule drug. Nicodicosapent has a monoisotopic molecular weight of 449.3 Da.

CAS Number1269181-69-2
PubChem CID50991753
IUPAC NameN-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl]pyridine-3-carboxamide
Molecular FormulaC28H39N3O2
Molecular Weight449.6
XLogP5.7
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Heavy Atom Count33
Formal Charge0
Complexity662
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCNC(=O)C1=CN=CC=C1
InChI
InChI=1S/C28H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(32)30-23-24-31-28(33)26-20-19-22-29-25-26/h3-4,6-7,9-10,12-13,15-16,19-20,22,25H,2,5,8,11,14,17-18,21,23-24H2,1H3,(H,30,32)(H,31,33)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKey
YYQALOWPCKMFDQ-JLNKQSITSA-N
Chemical Structure
2D Structure
2D structure of Nicodicosapent
CAS: 1269181-69-2
CID: 50991753
Formula: C28H39N3O2
MW: 449.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight449.6
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Exact Mass449.30422750
Monoisotopic Mass449.30422750
Topological Polar Surface Area71.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity662
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes