Products for Research Use Only
RegisterLogin

HSD17B13-IN-62

CAT: 0804-HY-163259Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-163259Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
HSD17B13-IN-62 (141) is a 17β-Hydroxysteroid dehydrogenases (HSD17B13) inhibitor, with an IC50 of [1].
CAS Number
2770247-32-8
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-62.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=NC(Cl)=C(C(Cl)=C1)O)NC(C=CC(C)=C2N=C(C)N3CC4=C(OC(F)(F)F)C=CC=C4)=C2C3=O
Molecular Formula
C24H17Cl2F3N4O4
Molecular Weight
553.32
References & Citations
[1]Sampath Kumar Anandan, et al. Dichlorophenol hsd17b13 inhibitors and uses thereof. Patent WO2022103960.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hsd17B13-IN-62
CAS Number2770247-32-8
PubChem CID163301214
IUPAC Name4,6-dichloro-N-[2,8-dimethyl-4-oxo-3-[[2-(trifluoromethoxy)phenyl]methyl]quinazolin-5-yl]-5-hydroxypyridine-2-carboxamide
Molecular FormulaC24H17Cl2F3N4O4
Molecular Weight553.3
XLogP5.8
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity895
SMILES
CC1=C2C(=C(C=C1)NC(=O)C3=NC(=C(C(=C3)Cl)O)Cl)C(=O)N(C(=N2)C)CC4=CC=CC=C4OC(F)(F)F
InChI
InChI=1S/C24H17Cl2F3N4O4/c1-11-7-8-15(32-22(35)16-9-14(25)20(34)21(26)31-16)18-19(11)30-12(2)33(23(18)36)10-13-5-3-4-6-17(13)37-24(27,28)29/h3-9,34H,10H2,1-2H3,(H,32,35)
InChIKey
TUQNXIQURRVRBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hsd17B13-IN-62
CAS: 2770247-32-8
CID: 163301214
Formula: C24H17Cl2F3N4O4
MW: 553.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight553.3
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass552.0578949
Monoisotopic Mass552.0578949
Topological Polar Surface Area104 Ų
Heavy Atom Count37
Formal Charge0
Complexity895
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-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
T86652-01HSD17B13-IN-62
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