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Dim16 HCl

CAT: 0013-GTR19264911-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264911-02Size:5 mg
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Description
Dim16 HCl is a dual inhibitor of PCSK9 and HMG-CoA reductase that exhibits an IC50 value of 19 nM for PCSK9, potently blocks PCSK9–LDLR binding with an IC50 of 0.8 nM, and increases LDL uptake in HepG2 cells, supporting its use in lipid metabolism and cardiovascular research.
CAS Number
2743448-41-9
Field of Research
Metabolism Research
Purity
99.07% (May vary between batches)
Smiles
Cl.IC1=NC=C (C2=NC=C (C=3C=CC=4C=CC=CC4C3) N2CCCC (C) (C) C) N1CCCCCNC
Molecular Formula
C29H39ClIN5
Molecular Weight
620.01
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PCSK9/HMG-CoAR inhibitor Dim16
CAS Number2743448-41-9
PubChem CID171378450
IUPAC Name5-[5-[1-(4,4-dimethylpentyl)-5-naphthalen-2-ylimidazol-2-yl]-2-iodoimidazol-1-yl]-N-methylpentan-1-amine;hydrochloride
Molecular FormulaC29H39ClIN5
Molecular Weight620.0
Topological Polar Surface Area47.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Heavy Atom Count36
Formal Charge0
Complexity625
SMILES
CC(C)(C)CCCN1C(=CN=C1C2=CN=C(N2CCCCCNC)I)C3=CC4=CC=CC=C4C=C3.Cl
InChI
InChI=1S/C29H38IN5.ClH/c1-29(2,3)15-10-18-34-25(24-14-13-22-11-6-7-12-23(22)19-24)20-32-27(34)26-21-33-28(30)35(26)17-9-5-8-16-31-4;/h6-7,11-14,19-21,31H,5,8-10,15-18H2,1-4H3;1H
InChIKey
AVNFEUGWJIFFJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PCSK9/HMG-CoAR inhibitor Dim16
CAS: 2743448-41-9
CID: 171378450
Formula: C29H39ClIN5
MW: 620.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight620.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Exact Mass619.19387
Monoisotopic Mass619.19387
Topological Polar Surface Area47.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity625
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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