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Chemical structure of Cholesterol 24-hydroxylase-IN-1

GC68863

Cholesterol 24-hydroxylase-IN-1

Also known as N,N-dimethyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide

Cholesterol 24-hydroxylase-IN-1 (compound 17) is a potent, orally active and highly selective inhibitor of cholesterol 24-hydroxylase (CH24H or CYP46A1) with an IC50 of 8·5 nM· Cholesterol 24-hydroxylase-IN-1 can penetrate the blood-brain barrier

ChemicalCAS1613480-70-8MW313.4FormulaC17H23N5O
CAS number
1613480-70-8
Molecular weight
313.4
Formula
C17H23N5O
Solubility
DMSO ： 100 mg/mL (319·08 mM; ultrasonic and warming and heat to 60°C)
InChIKey
MYSVNUHQXQZBQE-UHFFFAOYSA-N
Catalogue number
GC68863
Brand
GLPBIO
Computed properties PubChem CID 118450616 · XLogP 1.3 · TPSA 54.3 Ų · H-bond donors 0
XLogP
1.3
TPSA
54.3 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23

SMILES CC1=CN(N=C1)C2=C(C=NC=C2)N3CCC(CC3)C(=O)N(C)C

Computed descriptors from PubChem (CID 118450616), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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