Products for Research Use Only
RegisterLogin

HSD17B13-IN-20

CAT: 0804-HY-157650Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-157650Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
HSD17B13-IN-38 (Compound 18.02) is an inhibitor of hydroxysteroid 17β-dehydrogenase 13 (HSD17B13) . HSD17B13-IN-38 can be used in the research of liver diseases such as hepatitis, liver fibrosis, liver cirrhosis, and hepatocellular carcinoma[1].
CAS Number
2919797-59-2
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-20.html
Solubility
10 mM in DMSO
Smiles
CCC[C@@H]1CN(CCN1C2=NC3=C(C(C4=CC(C(F)(F)F)=C(C(O)=C4F)F)=NN3C)C=N2)S(C)(=O)=O
Molecular Formula
C21H23F5N6O3S
Molecular Weight
534.50
References & Citations
[1]Johnny Y. Nagasawa, et al. Hsd17b13 inhibitors and uses thereof. WIPO, WO2023043836A1. 2023-03-23.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hsd17B13-IN-20
CAS Number2919797-59-2
PubChem CID167518832
IUPAC Name2,6-difluoro-3-[1-methyl-6-[(2R)-4-methylsulfonyl-2-propylpiperazin-1-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-(trifluoromethyl)phenol
Molecular FormulaC21H23F5N6O3S
Molecular Weight534.5
XLogP3.4
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity879
SMILES
CCC[C@@H]1CN(CCN1C2=NC=C3C(=NN(C3=N2)C)C4=CC(=C(C(=C4F)O)F)C(F)(F)F)S(=O)(=O)C
InChI
InChI=1S/C21H23F5N6O3S/c1-4-5-11-10-31(36(3,34)35)6-7-32(11)20-27-9-13-17(29-30(2)19(13)28-20)12-8-14(21(24,25)26)16(23)18(33)15(12)22/h8-9,11,33H,4-7,10H2,1-3H3/t11-/m1/s1
InChIKey
IBOGSVYJIKXNSL-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Hsd17B13-IN-20
CAS: 2919797-59-2
CID: 167518832
Formula: C21H23F5N6O3S
MW: 534.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Exact Mass534.14725060
Monoisotopic Mass534.14725060
Topological Polar Surface Area113 Ų
Heavy Atom Count36
Formal Charge0
Complexity879
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-162223HSD17B13-IN-97
HY-161220HSD17B13-IN-19
HY-161221HSD17B13-IN-21
HY-148926HSD17B13-IN-1
HY-163254HSD17B13-IN-57
HY-161216HSD17B13-IN-15
HY-161211HSD17B13-IN-7
HY-163241HSD17B13-IN-25
HY-162225HSD17B13-IN-99
HY-163250HSD17B13-IN-51

Alternative Products

CatalogName
T86627-01HSD17B13-IN-20
MBS8577779-01HSD17B13
T211202-01HSD17B13-IN-104
T86675-01HSD17B13-IN-83
T86674-01HSD17B13-IN-82
T86672-01HSD17B13-IN-80
T86664-01HSD17B13-IN-73
T86661-01HSD17B13-IN-70
T86653-01HSD17B13-IN-63
T86650-01HSD17B13-IN-60

Popular Products