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HSD17B13-IN-41

CAT: 0804-HY-128145-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-128145-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HSD17B13-IN-41 (Compound C) is an inhibitor of hydroxysteroid 17β-dehydrogenase 13 (HSD17B13) . HSD17B13-IN-41 can be used for research on liver diseases, metabolic diseases, or cardiovascular diseases, such as NAFLD or NASH[1].
CAS Number
1122660-25-6
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
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-41.html
Solubility
10 mM in DMSO
Smiles
OC1=CC=C(C2=CC=C(C3=CC=CC(O)=C3)S2)C=C1C
Molecular Formula
C17H14O2S
Molecular Weight
282.36
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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

4-(5-(3-Hydroxyphenyl)thiophen-2-yl)-2-methylphenol
CAS Number1122660-25-6
PubChem CID25192475
IUPAC Name4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylphenol
Molecular FormulaC17H14O2S
Molecular Weight282.4
XLogP4.6
Topological Polar Surface Area68.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity322
SMILES
CC1=C(C=CC(=C1)C2=CC=C(S2)C3=CC(=CC=C3)O)O
InChI
InChI=1S/C17H14O2S/c1-11-9-13(5-6-15(11)19)17-8-7-16(20-17)12-3-2-4-14(18)10-12/h2-10,18-19H,1H3
InChIKey
ICDRVGLMFQWTDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(5-(3-Hydroxyphenyl)thiophen-2-yl)-2-methylphenol
CAS: 1122660-25-6
CID: 25192475
Formula: C17H14O2S
MW: 282.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.4
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass282.07145086
Monoisotopic Mass282.07145086
Topological Polar Surface Area68.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity322
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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