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Nicodicosapent

CAT: 0931-T16322-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T16322-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1269181-69-2
Target
Others, Fatty Acid Synthase, Autophagy
Related Pathways
Autophagy, Metabolism, Others
Bioactivity
Nicodicosapent is a fatty acid niacin conjugate and an inhibitor of the sterol regulatory element-binding protein (SREBP), which is a key regulator of cholesterol metabolism proteins such as PCSK9, HMG-CoA reductase, ATP citrate lyase, and NPC1L1.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
BA3658-2Nicodicosapent
A20841-100Nicodicosapent 100mg
A20841-25Nicodicosapent 25mg
A20841-5Nicodicosapent 5mg
A20841-50Nicodicosapent 50mg
A20841-10Nicodicosapent 10mg
A20841-2Nicodicosapent 2mg

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