Products for Research Use Only
RegisterLogin

HSD17B13-IN-8

CAT: 0804-HY-161212-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-161212-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
HSD17B13-IN-8 (1) is a 17β-Hydroxysteroid dehydrogenases (HSD17B13) inhibitor, with IC50 values of [1].
CAS Number
2758802-02-5
UNSPSC
12352005
Target
17β-HSD
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/hsd17b13-in-8.html
Purity
99.97
Solubility
10 mM in DMSO
Smiles
ClC1=C(O)C=CC(C(NC2=C(C(NCCC3=C(OC)C=CC=C3)=O)SC=C2)=O)=C1
Molecular Formula
C21H19ClN2O4S
Molecular Weight
430.90
References & Citations
[1]Joshua Odingo, et al. Thiophene hsd17b13 inhibitors and uses thereof. Patent WO2022020714.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hsd17B13-IN-8
CAS Number2758802-02-5
PubChem CID162685438
IUPAC Name3-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.9
XLogP4.8
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity567
SMILES
COC1=CC=CC=C1CCNC(=O)C2=C(C=CS2)NC(=O)C3=CC(=C(C=C3)O)Cl
InChI
InChI=1S/C21H19ClN2O4S/c1-28-18-5-3-2-4-13(18)8-10-23-21(27)19-16(9-11-29-19)24-20(26)14-6-7-17(25)15(22)12-14/h2-7,9,11-12,25H,8,10H2,1H3,(H,23,27)(H,24,26)
InChIKey
OSRFYHIZLRRIKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hsd17B13-IN-8
CAS: 2758802-02-5
CID: 162685438
Formula: C21H19ClN2O4S
MW: 430.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.9
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass430.0754060
Monoisotopic Mass430.0754060
Topological Polar Surface Area116 Ų
Heavy Atom Count29
Formal Charge0
Complexity567
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
BA7091-10HSD17B13-IN-8
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