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Home > Products > Specialty & Industrial Chemicals > Specialty Chemicals > 2,2-DIMETHYL-N-(2,4,6-TRIMETHOXYPHENYL)DODECANAMIDE
2,2-DIMETHYL-N-(2,4,6-TRIMETHOXYPHENYL)DODECANAMIDE structure, CAS 114289-47-3

2,2-DIMETHYL-N-(2,4,6-TRIMETHOXYPHENYL)DODECANAMIDE

CAS Number114289-47-3

SynonymsCI 976; 2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide; C23H39NO4

Molecular FormulaC23H39NO4

Molecular Weight393.56

Purity96+%

Density1.002g/cm3

Boiling Point504.7ºC at 760mmHg

Melting Point

Flash Point

Appearance

EINECS0

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Cat. No.: 2A-0110650 Purity: 96+%
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Quality Control of [ 114289-47-3 ] Purity: 96+% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number114289-47-3
Catalog No.2A-0110650
Chinese Name2,2-二甲基-N-(2,4,6-三甲氧基苯基)月桂酰胺
SynonymsCI 976; 2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide; C23H39NO4
Molecular FormulaC23H39NO4
Molecular Weight393.56
Purity96+
Density1.002g/cm3
Boiling Point504.7ºC at 760mmHg
Storage Condition2-8°C, dry, sealed
ApplicationPD 128042 (CI 976) is a potent, orally active and selective inhibitor of ACAT (acyl-CoA:cholesterol acyltransferase) with an IC50s of 73 nM. PD 128042 is also a potent LPAT (lysophosphatidyltransferas
EINECS0
HTC2924299090
UN(IATA)0
PubChem ID329775044
MDL NumberMFCD00869662
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
InChI KeyWAFNZAURAWBNDZ-UHFFFAOYSA-N
NACRES CodeNA.77
UNSPSC51111800
Hazard Symbolstransportation
BioactivityPD 128042 (CI 976) is a potent, orally active, and selective inhibitor of ACAT (acyl coenzyme A:cholesterol acyltransferase) with an IC50s of 73 nM. PD 128042 is also a potent LPAT (lysophospholipid acyltransferase) inhibitor. PD 128042 inhibits Golgi-associated LPAT activity (IC50=15 μM). PD 128042 inhibits multiple membrane trafficking steps, including ones found in the endocytic and secretory pathway[1][2][3]. Related Catalog Research Areas >> Metabolic Disease In Vivo PD 128042 (CI 976) (10-30 mg/kg; gavage, in the chronic cholesterol-fed rat model) decreases non-high density lipoprotein (HDL)-cholesterol and increases HDL-cholesterol in rats with pre-established dyslipidemia[4]. References [1]. Chambers K, et al. A unique lysophospholipid acyltransferase (LPAT) antagonist, CI-976, affects secretory and endocytic membrane trafficking pathways. J Cell Sci. 2005;118(Pt 14):3061-3071. [2]. O'Brien PM, et al. Inhibitors of acyl-CoA:cholesterol O-acyl transferase (ACAT) as hypocholesterolemic agents. 8. Incorporation of amide or amine functionalities into a series of disubstituted ureas and carbamates. Effects on ACAT inhibition in vitro and efficacy in vivo. J Med Chem. 1994;37(12):1810-1822. [3]. Drecktrah D, et al. Inhibition of a Golgi complex lysophospholipid acyltransferase induces membrane tubule formation and retrograde trafficking. Mol Biol Cell. 2003;14(8):3459-3469. [4]. Krause BR, et al. In vivo evidence that the lipid-regulating activity of the ACAT inhibitor CI-976 in rats is due to inhibition of both intestinal and liver ACAT. J Lipid Res. 1993;34(2):279-294. Chemical & Physical Properties Density 1.002g/cm3 Boiling Point 504.7ºC at 760mmHg Molecular Formula C23H39NO4 Molecular Weight 393.56000 Flash Point 259ºC Exact Mass 393.28800 PSA 56.79000 LogP 6.28090 Vapour Pressure 2.59E-10mmHg at 25°C Index of Refraction 1.503 InChIKey WAFNZAURAWBNDZ-UHFFFAOYSA-N SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Use ofPD 128042 (CI 976) is a potent, orally active, and selective inhibitor of ACAT (acyl coenzyme A:cholesterol acyltransferase) with an IC50s of 73 nM. PD 128042 is also a potent LPAT (lysophospholipid acyltransferase) inhibitor. PD 128042 inhibits Golgi-associated LPAT activity (IC50=15 μM). PD 128042 inhibits multiple membrane trafficking steps, including ones found in the endocytic and secretory pathway[1][2][3]. Properties Articles25 Name 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide Synonym More Synonyms PD 128042 Biological Activity Description PD 128042 (CI 976) is a potent, orally active, and selective inhibitor of ACAT (acyl coenzyme A:cholesterol acyltransferase) with an IC50s of 73 nM. PD 128042 is also a potent LPAT (lysophospholipid acyltransferase) inhibitor. PD 128042 inhibits Golgi-associated LPAT activity (IC50=15 μM). PD 128042 inhibits multiple membrane trafficking steps, including ones found in the endocytic and secretory pathway[1][2][3]. Related Catalog Research Areas >> Metabolic Disease References [1]. Chambers K, et al. A unique lysophospholipid acyltransferase (LPAT) antagonist, CI-976, affects secretory and endocytic membrane trafficking pathways. J Cell Sci. 2005;118(Pt 14):3061-3071. [2]. O'Brien PM, et al. Inhibitors of acyl-CoA:cholesterol O-acyl transferase (ACAT) as hypocholesterolemic agents. 8. Incorporation of amide or amine functionalities into a series of disubstituted ureas and carbamates. Effects on ACAT inhibition in vitro and efficacy in vivo. J Med Chem. 1994;37(12):1810-1822. [3]. Drecktrah D, et al. Inhibition of a Golgi complex lysophospholipid acyltransferase induces membrane tubule formation and retrograde trafficking. Mol Biol Cell. 2003;14(8):3459-3469. [4]. Krause BR, et al. In vivo evidence that the lipid-regulating activity of the ACAT inhibitor CI-976 in rats is due to inhibition of both intestinal and liver ACAT. J Lipid Res. 1993;34(2):279-294. Chemical & Physical Properties Molecular Formula C23H39NO4 Exact Mass 393.28800 PSA 56.79000 LogP 6.28090 Index of Refraction 1.503 InChIKey WAFNZAURAWBNDZ-UHFFFAOYSA-N
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 30.0%
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: No dangerous goods IMDG Code: No dangerous goods International Air Transport Dangerous Regulations: No dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special precautions for users No data available
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