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Chemical structure of 17β-HSD10-IN-1

GC71338

17β-HSD10-IN-1

Also known as N-[2-[(3-chloro-4-hydroxyphenyl)carbamoylamino]-1,3-benzothiazol-6-yl]acetamide

17β-HSD10-IN-1 (compound 9) is an orally active inhibitor of 17β-hydroxysteroid dehydrogenase type 10 (17β-HSD10) with blood-brain permeability

ChemicalCAS2316765-78-1MW376.82FormulaC16H13ClN4O3S
CAS number
2316765-78-1
Molecular weight
376.82
Formula
C16H13ClN4O3S
Solubility
DMSO ： 25 mg/mL (66·34 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
JLNKZAOURVXTHS-UHFFFAOYSA-N
Catalogue number
GC71338
Brand
GLPBIO
Computed properties PubChem CID 168476163 · XLogP 2.7 · TPSA 132 Ų · H-bond donors 4
XLogP
2.7
TPSA
132 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25

SMILES CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC(=C(C=C3)O)Cl

Computed descriptors from PubChem (CID 168476163), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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