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ATR-101

CAT: 0013-GTR19217863-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217863-02Size:500 mg
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Description
ATR-101 (PD-132301, Nevanimibe) is a selective and potent inhibitor of ACAT1 with IC50 of 52 nM; induces H295R cell apoptosis, causes mitochondrial hyperpolarization, reactive oxygen release, and ATP depletion, caspase-3/7 activation, and membrane permeabilization; decreases the formation of cholesteryl esters and increases FC levels in H295R adrenocortical carcinoma cells; inhibits the establishment and impeds the growth of ACC-derived H295R cell xenografts in mice; orally active.Cushing Disease Phase 2 Clinical (In Vitro) :Coincubation of Nevanimibe hydrochloride (PD-132301 hydrochloride; ATR101 hydrochloride; 3 nM-30 μM) and Cholesterol markedly increases toxicity in a dose-dependent manner, where 3 nM Nevanimibe in the presence of 60 μg/mL Cholesterol reduces survival by 60% after 24 hours. All doses of Nevanimibe (3 nM-30 μM) induces cytoxicity in the presence of Cholesterol, whereas treatment with Cholesterol in the absence of Nevanimibe has no effect on cell viability.
CAS Number
133825-81-7
Product Name Alternative
PD-132301 | PD132301-2 | ATR 101 | Nevanimibe
Field of Research
Epigenetics & Chromatin
Purity
>98% (HPLC)
Solubility
DMSO : 41.67 mg/mL. 90.97 mM
Smiles
CC (C) C1=C (C (=CC=C1) C (C) C) NC (=O) NCC2 (CCCC2) C3=CC=C (C=C3) N (C) C.Cl
Molecular Formula
C27H40ClN3O
Molecular Weight
458.09
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1- (2,6-diisopropylphenyl) -3- ((1- (4- (dimethylamino) phenyl) cyclopentyl) methyl) urea hydrochloride

Chemical Information

N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)urea hydrochloride

structure given in first source; a lipid regulator

CAS Number133825-81-7
PubChem CID131678
IUPAC Name1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea;hydrochloride
Molecular FormulaC27H40ClN3O
Molecular Weight458.1
Topological Polar Surface Area44.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity543
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CC=C(C=C3)N(C)C.Cl
InChI
InChI=1S/C27H39N3O.ClH/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6;/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31);1H
InChIKey
SDOOGTHIDFZUNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)urea hydrochloride
CAS: 133825-81-7
CID: 131678
Formula: C27H40ClN3O
MW: 458.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass457.2859906
Monoisotopic Mass457.2859906
Topological Polar Surface Area44.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity543
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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