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ARN5187

CAT: 0931-T61883-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T61883-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1287451-26-6
Target
Others, Autophagy, Apoptosis
Related Pathways
Apoptosis, Others, Autophagy
Bioactivity
ARN5187 is a lysosomal compound, REV-ERB β Ligand. ARN5187 inhibits REV-ERB-mediated transcriptional regulation and autophagy. ARN5187 shows lysosomal efficacy and cytotoxicity, and can induce apoptosis.
Smiles
N(CC1=CC(CN2CCN(C)CC2)=C(O)C=C1)C3(CCCC3)C4=C(F)C=CC=C4
Molecular Formula
C24H32FN3O
Molecular Weight
397.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-({[1-(2-Fluorophenyl)cyclopentyl]amino}methyl)-2-[(4-methylpiperazin-1-YL)methyl]phenol
CAS Number1287451-26-6
PubChem CID46965865
IUPAC Name4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]-2-[(4-methylpiperazin-1-yl)methyl]phenol
Molecular FormulaC24H32FN3O
Molecular Weight397.5
XLogP3.2
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity504
SMILES
CN1CCN(CC1)CC2=C(C=CC(=C2)CNC3(CCCC3)C4=CC=CC=C4F)O
InChI
InChI=1S/C24H32FN3O/c1-27-12-14-28(15-13-27)18-20-16-19(8-9-23(20)29)17-26-24(10-4-5-11-24)21-6-2-3-7-22(21)25/h2-3,6-9,16,26,29H,4-5,10-15,17-18H2,1H3
InChIKey
RMYLFPZPIDTXQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-({[1-(2-Fluorophenyl)cyclopentyl]amino}methyl)-2-[(4-methylpiperazin-1-YL)methyl]phenol
CAS: 1287451-26-6
CID: 46965865
Formula: C24H32FN3O
MW: 397.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.5
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass397.25294081
Monoisotopic Mass397.25294081
Topological Polar Surface Area38.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity504
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

Alternative Products

CatalogName
HY-103691ARN5187
GTR19185175-01ARN5187 trihydrochloride
HY-103691A-01ARN5187 (trihydrochloride)

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