ARN-5187

CAT: 1410-M11171-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1410-M11171-02Size:5 mg

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Description

A novel lysosomotropic REV-ERB ligand that has a dual inhibitory activity toward REV-ERB-mediated transcriptional regulation and autophagy.

CAS Number

1287451-26-6

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

397.538

Molecular Formula

C24H32FN3O

Notes

Research use only, not for human use.

Receptor

Autophagy

Chemical Information

4-({[1-(2-Fluorophenyl)cyclopentyl]amino}methyl)-2-[(4-methylpiperazin-1-YL)methyl]phenol

CAS Number	1287451-26-6
PubChem CID	46965865
IUPAC Name	4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]-2-[(4-methylpiperazin-1-yl)methyl]phenol
Molecular Formula	C24H32FN3O
Molecular Weight	397.5
XLogP	3.2
Topological Polar Surface Area	38.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	504

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

CAS: 1287451-26-6

CID: 46965865

Formula: C24H32FN3O

MW: 397.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	397.5
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	397.25294081
Monoisotopic Mass	397.25294081
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	504
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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