ChemicalBook--->CAS DataBase List--->133825-81-7

133825-81-7

133825-81-7 Structure

133825-81-7 Structure
IdentificationBack Directory
[Name]

PD 132301-2
[CAS]

133825-81-7
[Synonyms]

PD 132301-2
ATR-101 HCl
Nevanimibe)
ATR-101 (PD-132301
ATR101 hydrochloride
PD-132301 hydrochloride
Nevanimibe hydrochloride
[Molecular Formula]

C27H40ClN3O
[MDL Number]

MFCD00899568
[MOL File]

133825-81-7.mol
[Molecular Weight]

458.09
Chemical PropertiesBack Directory
[storage temp. ]

4°C, away from moisture
[solubility ]

DMSO : 41.67 mg/mL (90.97 mM; Need ultrasonic)| (insoluble)
[form ]

Solid
[color ]

White to off-white
[Water Solubility ]

Water : < 0.1 mg/mL (ultrasonic;warming;heat to 60°C)
[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
[SMILES]

[Cl-].N(C)(C)c1ccc(cc1)C3(CCCC3)CNC(=O)Nc2c(cccc2C(C)C)C(C)C.[H+]
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Nevanimibe Hydrochloride can be used for combinatory treatment strategies of cancer based on RNA polymerase I inhibition.
[Biological Activity]

ATR-101 (PD 132301-02; Nevanimibe HCl) is an orally activepotent and selective acyl-CoA:cholesterol acyltransferase 1 (ACAT1SOAT1) inhibtior (IC50 = 52 nM; intestinal microsome from cholesterol-fed rabbits) th at reduces plasma cholesterol in both acute (by 77%; 50 mg/kg po.) and chronic (by 80%; 10 mg/kg po.) cholesterol-fed r at models. In additionATR-101 is reported to exhibit therapeutic efficacy against adrenocortical carcinoma (ACC)congenital adrenal hyperplasia (CAH)and Cushingμs syndrome (CS).
[IC 50]

ACAT1: 9 nM (EC50); ACAT2: 368 nM (EC50)
Spectrum DetailBack Directory
[Spectrum Detail]

PD 132301-2(133825-81-7)1HNMR
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