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Nevanimibe

CAT: 0804-HY-100399-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100399-01Size:5 mg
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Description
Nevanimibe (PD-132301) is an orally active and selective acyl-coenzyme A:cholesterol O-acyltransferase 1 (ACAT1) inhibitor with an EC50 of 9 nM. Nevanimibe inhibits ACAT2 with an EC50 of 368 nM. Nevanimibe induces cell apoptosis and has the potential for adrenocortical cancer[1].
CAS Number
133825-80-6
Product Name Alternative
PD-132301; ATR-101
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Acyltransferase; Apoptosis
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/Nevanimibe.html
Purity
98.99
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
O=C(NCC1(C2=CC=C(N(C)C)C=C2)CCCC1)NC3=C(C(C)C)C=CC=C3C(C)C
Molecular Formula
C27H39N3O
Molecular Weight
421.62
Precautions
H302, H315, H319, H335
References & Citations
[1]LaPensee CR, et al. ATR-101, a Selective and Potent Inhibitor of Acyl-CoA Acyltransferase 1, Induces Apoptosis in H295R Adrenocortical Cells and in the Adrenal Cortex of Dogs. Endocrinology. 2016 May;157 (5) :1775-88.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
ACAT1; ACAT2
Citation 01
Cell Rep. 2022 Nov 29;41 (9) :111724.|Mol Cell Endocrinol. 2024 Dec 1:594:112385.|Structure. 2021 Dec 2;29 (12) :1410-1418.e4.

Chemical Information

Nevanimibe

Nevanimibe is under investigation in clinical trial NCT03053271 (A Study of ATR-101 for the Treatment of Endogenous Cushing's Syndrome).

CAS Number133825-80-6
PubChem CID131679
IUPAC Name1-[[1-[4-(dimethylamino)phenyl]cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
Molecular FormulaC27H39N3O
Molecular Weight421.6
XLogP6.6
Topological Polar Surface Area44.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count31
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
InChI
InChI=1S/C27H39N3O/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)
InChIKey
PKKNCEXEVUFFFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nevanimibe
CAS: 133825-80-6
CID: 131679
Formula: C27H39N3O
MW: 421.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.6
XLogP36.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass421.309312876
Monoisotopic Mass421.309312876
Topological Polar Surface Area44.4 Ų
Heavy Atom Count31
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA3168-50Nevanimibe
BUP04038-01Nevanimibe hydrochloride
T203300-01Desmethyl nevanimibe
A21767-10Nevanimibe hydrochloride 10mg
A21767-25Nevanimibe hydrochloride 25mg
A21767-100Nevanimibe hydrochloride 100mg
A21767-50Nevanimibe hydrochloride 50mg
A21767-5Nevanimibe hydrochloride 5mg
A21767-1Nevanimibe hydrochloride 1mg
A14395-25Nevanimibe (ATR-101) 25mg

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