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HSD17B13-IN-39

CAT: 0804-HY-157665Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-157665Size:1 Each
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Description
HSD17B13-IN-39 (Compound A) is an inhibitor of hydroxysteroid 17β-dehydrogenase 13 (HSD17B13) . HSD17B13-IN-39 can be used for research on liver diseases, metabolic diseases, or cardiovascular diseases, such as NAFLD or NASH[1].
CAS Number
2730022-55-4
UNSPSC
12352005
Target
17β-HSD
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/hsd17b13-in-39.html
Solubility
10 mM in DMSO
Smiles
OC1=CC=CC(C2=C3C=CC(O)=CC3=CC=N2)=C1
Molecular Formula
C15H11NO2
Molecular Weight
237.25
References & Citations
[1]Vincent FLORIO, et al. Substrate selective hsd17b13 inhibitors and uses thereof. WIPO, WO2021211981A1. 2021-10-21.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hsd17B13-IN-39
CAS Number2730022-55-4
PubChem CID156892510
IUPAC Name1-(3-hydroxyphenyl)isoquinolin-6-ol
Molecular FormulaC15H11NO2
Molecular Weight237.25
XLogP3.1
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity284
SMILES
C1=CC(=CC(=C1)O)C2=NC=CC3=C2C=CC(=C3)O
InChI
InChI=1S/C15H11NO2/c17-12-3-1-2-11(9-12)15-14-5-4-13(18)8-10(14)6-7-16-15/h1-9,17-18H
InChIKey
DCIHWPGCNFTMJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hsd17B13-IN-39
CAS: 2730022-55-4
CID: 156892510
Formula: C15H11NO2
MW: 237.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.25
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass237.078978594
Monoisotopic Mass237.078978594
Topological Polar Surface Area53.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity284
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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