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HSD17B13-IN-44

CAT: 0931-T86634-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T86634-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2912452-29-8
Target
Dehydrogenase
Related Pathways
Metabolism
Bioactivity
HSD17B13-IN-44 (Compound 23) functions as an inhibitor targeting hydroxysteroid 17β-dehydrogenase 13 (HSD17B13), exhibiting an IC50 value of < 0.1 μM against estradiol. This compound is applicable in the study of liver diseases or metabolic disorders [1].
Smiles
S(NC1=C(OC)C=C(C(O)=O)C=C1)(=O)(=O)C=2SC(=CC2)C3=CC=C(F)C=C3
Molecular Formula
C18H14FNO5S2
Molecular Weight
407.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hsd17B13-IN-44
CAS Number2912452-29-8
PubChem CID167475920
IUPAC Name4-[[5-(4-fluorophenyl)thiophen-2-yl]sulfonylamino]-3-methoxybenzoic acid
Molecular FormulaC18H14FNO5S2
Molecular Weight407.4
XLogP3.7
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity618
SMILES
COC1=C(C=CC(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(S2)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H14FNO5S2/c1-25-15-10-12(18(21)22)4-7-14(15)20-27(23,24)17-9-8-16(26-17)11-2-5-13(19)6-3-11/h2-10,20H,1H3,(H,21,22)
InChIKey
QYYQMEYAOBHJOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hsd17B13-IN-44
CAS: 2912452-29-8
CID: 167475920
Formula: C18H14FNO5S2
MW: 407.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.4
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass407.02974306
Monoisotopic Mass407.02974306
Topological Polar Surface Area129 Ų
Heavy Atom Count27
Formal Charge0
Complexity618
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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Alternative Products

CatalogName
HY-157667HSD17B13-IN-44
MBS8577779-01HSD17B13
JH1809444'44'
BA7090-1HSD17B13-IN-3
HY-162223HSD17B13-IN-97
HY-161220HSD17B13-IN-19
HY-161221HSD17B13-IN-21
HY-148926HSD17B13-IN-1
HY-163254HSD17B13-IN-57
HY-161216HSD17B13-IN-15

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