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ChemicalBook--->CAS DataBase List--->1434635-54-7

1434635-54-7

1434635-54-7 Structure

1434635-54-7 Structure
IdentificationBack Directory
[Name]

NDI-010976
[CAS]

1434635-54-7
[Synonyms]

ND-630
GS0976
CS-2609
CS-2632
CPDB5078
EOS-61252
NDI-010976
Firsocostat
GS0976,ND-630
ND-630,NDI-010976
ND630;FIRSOCOSTAT
Firsocostat (ND-630
Firsocostat(ND-630,GS-0976)
Firsocostat (GS-0976,NDI-010976,ND-630)
ND 630; ND630;GS-0976;GS 0976;GS0976;FIRSOCOSTAT
(R)-2-(1-(2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)oxy)ethyl)-5-methyl-6-(oxazol-2-yl)-2,4-dioxo-1,2-dihydrothieno[2,3-
1,4-Dihydro-1-[(2R)-2-(2-methoxyphenyl)-2-[(tetrahydro-2H-pyran-4-yl)oxy]ethyl]-α,α,5-trimethyl-6-(2-oxazolyl)-2,4-dioxothieno[2,3-d]pyrimidine-3(2H)-acetic acid
Thieno[2,3-d]pyrimidine-3(2H)-acetic acid, 1,4-dihydro-1-[(2R)-2-(2-methoxyphenyl)-2-[(tetrahydro-2H-pyran-4-yl)oxy]ethyl]-α,α,5-trimethyl-6-(2-oxazolyl)-2,4-dioxo-
(R)-2-(1-(2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)oxy)ethyl)-5-methyl-6-(oxazol-2-yl)-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl)-2-methylpropanoicacid
(R)-2-(1-(2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)oxy)ethyl)-5-methyl-6-(oxazol-2-yl)-2,4-dioxo-1,2-dihydrothieno[2,3-d]pyrimidin-3(4H)-yl)-2-methylpropanoic acid
[Molecular Formula]

C28H31N3O8S
[MDL Number]

MFCD28963986
[MOL File]

1434635-54-7.mol
[Molecular Weight]

569.63
Chemical PropertiesBack Directory
[Boiling point ]

779.0±70.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO:75.0(Max Conc. mg/mL);131.66(Max Conc. mM)
DMF:10.0(Max Conc. mg/mL);17.56(Max Conc. mM)
Ethanol:3.0(Max Conc. mg/mL);5.27(Max Conc. mM)
[form ]

A crystalline solid
[pka]

3.66±0.10(Predicted)
[color ]

White to light yellow
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Description]

ND-630 is an allosteric inhibitor of acetyl-CoA carboxylase (ACC) dimerization that inhibits ACC1 and ACC2 activity (IC50s = 2.1 and 6.1 nM, respectively, for the human enzymes). It is selective for ACC over 101 enzymes, receptors, growth factors, transporters, and ion channels up to a concentration of 10 μM. ND-630 prevents dimerization of ACC by interacting within the phosphopeptide-acceptor and dimerization site. It reduces fatty acid synthesis (EC50s = 66 and 9 nM in 10% FBS and serum-free media, respectively) and increases fatty acid oxidation in HepG2 cells. ND-630 reduces hepatic steatosis in a rat model of diet-induced obesity and in Zucker diabetic rats. It also improves insulin secretion stimulated by glucose and reduces hemoglobin A1c levels by 0.9% in Zucker diabetic rats.
[Uses]

Firsocostat or ND-630 (CAS# 1434635-54-7) is an inhibitor of acetyl-coA carboxylase and may favorably affect the morbidity and mortality associated with obesity, diabetes, and fatty liver disease from reduced hepatic steatosis, improved insulin sensitivity, and modulation of dyslipidemia.
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