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17β-HSD10-IN-1

CAT: 0804-HY-155534-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-155534-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
17β-HSD10-IN-1 (compound 9) is an orally active inhibitor of 17β-hydroxysteroid dehydrogenase type 10 (17β-HSD10) with blood-brain permeability. 17β-HSD10-IN-1 doesn't result additional effects for mitochondrial off-targets and cytotoxic or neurotoxic effects[1].
CAS Number
2316765-78-1
UNSPSC
12352005
Target
17β-HSD
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/17β-hsd10-in-1.html
Purity
97.16
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC=C(C(Cl)=C1)O)NC(SC2=C3)=NC2=CC=C3NC(C)=O
Molecular Formula
C16H13ClN4O3S
Molecular Weight
376.82
References & Citations
[1]Benek O, et al. Development of submicromolar 17-HSD10 inhibitors and their in vitro and in vivo evaluation. Eur J Med Chem. 2023 Oct 5;258:115593.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

17|A-Hsd10-IN-1
CAS Number2316765-78-1
PubChem CID168476163
IUPAC NameN-[2-[(3-chloro-4-hydroxyphenyl)carbamoylamino]-1,3-benzothiazol-6-yl]acetamide
Molecular FormulaC16H13ClN4O3S
Molecular Weight376.8
XLogP2.7
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity512
SMILES
CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC(=C(C=C3)O)Cl
InChI
InChI=1S/C16H13ClN4O3S/c1-8(22)18-10-2-4-12-14(7-10)25-16(20-12)21-15(24)19-9-3-5-13(23)11(17)6-9/h2-7,23H,1H3,(H,18,22)(H2,19,20,21,24)
InChIKey
JLNKZAOURVXTHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 17|A-Hsd10-IN-1
CAS: 2316765-78-1
CID: 168476163
Formula: C16H13ClN4O3S
MW: 376.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.8
XLogP32.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass376.0396892
Monoisotopic Mass376.0396892
Topological Polar Surface Area132 Ų
Heavy Atom Count25
Formal Charge0
Complexity512
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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CatalogName
GTR19219593-0117β-HSD10-IN-1
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377153FSIP1 (HSD10, Fibrous Sheath Interacting Protein 1)
140309FSIP1 (Fibrous Sheath-interacting Protein 1, HSD10)
INB76074-0117:0-17:1-17:0 Tg
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