Products for Research Use Only
RegisterLogin

HSD17B13-IN-98

CAT: 0804-HY-162224Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-162224Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
HSD17B13-IN-98 (5) is an inhibitor of 17 β-hydroxysteroid dehydrogenase (HSD17B13), and its IC50 value for estradiol is [1].
CAS Number
2849338-45-8
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-98.html
Solubility
10 mM in DMSO
Smiles
OC1=C(C(F)(F)F)N=C(C(NC2=C(C(NCCC(C)(C)C)=O)SC=C2)=O)C=C1
Molecular Formula
C18H20F3N3O3S
Molecular Weight
415.43
References & Citations
[1]Joshua Odingo, et al. Hydroxypyridine hsd17b13 inhibitors and uses thereof. 2019 Apr;15 (4) :322-330. WO2022216626A1.2022-10-13.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hsd17B13-IN-98
CAS Number2849338-45-8
PubChem CID165403769
IUPAC NameN-[2-(3,3-dimethylbutylcarbamoyl)thiophen-3-yl]-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular FormulaC18H20F3N3O3S
Molecular Weight415.4
XLogP4.5
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity569
SMILES
CC(C)(C)CCNC(=O)C1=C(C=CS1)NC(=O)C2=NC(=C(C=C2)O)C(F)(F)F
InChI
InChI=1S/C18H20F3N3O3S/c1-17(2,3)7-8-22-16(27)13-10(6-9-28-13)24-15(26)11-4-5-12(25)14(23-11)18(19,20)21/h4-6,9,25H,7-8H2,1-3H3,(H,22,27)(H,24,26)
InChIKey
JHZPDEHOVBHIPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hsd17B13-IN-98
CAS: 2849338-45-8
CID: 165403769
Formula: C18H20F3N3O3S
MW: 415.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.4
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass415.11774717
Monoisotopic Mass415.11774717
Topological Polar Surface Area120 Ų
Heavy Atom Count28
Formal Charge0
Complexity569
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

Related Products

CatalogName
HY-174253HSD17B13-IN-105
HY-162223HSD17B13-IN-97
HY-161220HSD17B13-IN-19
HY-161221HSD17B13-IN-21
HY-148926HSD17B13-IN-1
HY-163254HSD17B13-IN-57
HY-161231HSD17B13-IN-78
HY-161224HSD17B13-IN-31
HY-161214HSD17B13-IN-12
HY-162207HSD17B13-IN-54

Alternative Products

CatalogName
GTR19235134-01HSD17B13-IN-98
MBS8577779-01HSD17B13
BA7090-1HSD17B13-IN-3
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

Popular Products