CAS 114289-47-3|PD 128042

Introduction:Basic information about CAS 114289-47-3|PD 128042, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NamePD 128042
CAS Number114289-47-3Molecular Weight393.56000
Density1.002g/cm3Boiling Point504.7ºC at 760mmHg
Molecular FormulaC23H39NO4Melting Point/
MSDSChineseUSAFlash Point259ºC

Names

Name2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide
SynonymMore Synonyms

PD 128042 BiologicalActivity

DescriptionPD 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 CatalogResearch Areas >>Metabolic Disease
In VivoPD 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

Density1.002g/cm3
Boiling Point504.7ºC at 760mmHg
Molecular FormulaC23H39NO4
Molecular Weight393.56000
Flash Point259ºC
Exact Mass393.28800
PSA56.79000
LogP6.28090
Vapour Pressure2.59E-10mmHg at 25°C
Index of Refraction1.503
InChIKeyWAFNZAURAWBNDZ-UHFFFAOYSA-N
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JR2052000
CHEMICAL NAME :
Dodecanamide, 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)-
CAS REGISTRY NUMBER :
114289-47-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C23-H39-N-O4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
157 gm/kg/56W-C
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
TOXID9 Toxicologist. (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway, Akron, OH 44311) V.1- 1981- Volume(issue)/page/year: 13,317,1993

Safety Information

Hazard StatementsH413
Personal Protective EquipmentEyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard CodesXi
RIDADRNONH for all modes of transport
HS Code2924299090

Customs

HS Code2924299090
Summary2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles25

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Synonyms

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