Nevanimibe hydrochloride（PD-132301 hydrochloride） - Moligand™, ≥98% , CAS No.133825-81-7

CAS: 133825-81-7 Cat. No.: N650144 Molecular Weight: 458.08

GRADE & PURITY Moligand™, ≥98%

Synonyms

PD132301-02 | ATR101 hydrochloride | PD 132301-02 | 1[[1[4(Dimethylamino)phenyl]cyclopentyl]methyl]3[2,6di(propan2yl)phenyl]urea hydrochloride | PD 132301-2 | PD132301-2 | PD132301 HCl | CI-984 | N-[2,6-bis(1-Methylethyl)phenyl]-N-[[1-[4-(dimethylamino)ph

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Nevanimibe hydrochloride ( PD-132301 hydrochloride ) is a selective acyl-CoA : cholesterol O-acyltransferase 1 inhibitor with an EC50 of 9 nM. It inhibits ACAT2 with an EC50 of 368 nM. It induces apoptosis and has the potential to resist adrenocortical carcinoma. 

In vitro activity

In H295R human adrenocortical carcinoma cells, Nevanimibe hydrochloride(ATR-101 hydrochloride) decreases the formation of cholesteryl esters and increases FC levels, demonstrating potent inhibition of ACAT1 activity. Caspase-3/7 levels and terminal deoxynucleotidyl transferase 2'-deoxyuridine 5'-triphosphate nick end labeled-positive cells are increased by ATR-101 treatment, indicating activation of apoptosis.

Specifications

Synonyms

PD132301-02 | ATR101 hydrochloride | PD 132301-02 | 1[[1[4(Dimethylamino)phenyl]cyclopentyl]methyl]3[2, 6di(propan2yl)phenyl]urea hydrochloride | PD 132301-2 | PD132301-2 | PD132301 HCl | CI-984 | N-[2, 6-bis(1-Methylethyl)phenyl]-N-[[1-[4-(dimethylamino)ph

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Nevanimibe hydrochloride (PD-132301 hydrochloride) is an orally active and selective acyl-coenzyme A:cholesterol O-acyltransferase 1 ( ACAT1 ) inhibitor with an EC 50 of 9 nM. Nevanimibe hydrochloride inhibits ACAT2 with an EC 50 of 368 nM. Nevanimibe hyd

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 528773817
• Canonical Smiles: CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CC=C(C=C3)N(C)C.Cl
• IUPAC Name: 1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea;hydrochloride
• InChIKey: SDOOGTHIDFZUNM-UHFFFAOYSA-N
• 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
• Isomeric SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CC=C(C=C3)N(C)C.Cl
• Alternate CAS: 133825-81-7；133825-80-6
• MeSH Entry Terms: ATR-101;N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)urea hydrochloride;PD 132301-2;PD-132301-2;PD132301-2;urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)-, hydrochloride (1
• Molecular Weight: 458.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Phenylpropanes Cumenes Dialkylarylamines Aniline and substituted anilines Ureas Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Cumene - Phenylpropane - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Carbonic acid derivative - Tertiary amine - Urea - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Hydrochloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility： DMSO
• Sensitivity: Moisture sensitive
• Molecular Weight: 458.100 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 457.286 Da
• Monoisotopic Mass: 457.286 Da
• Topological Polar Surface Area: 44.400 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 543.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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