ChemicalBook CAS DataBase List 2761063-99-2

2761063-99-2

Name	Morpholine, 2-phenyl-4-[6-[[cis-3-(1H-pyrazol-1-yl)cyclobutyl]oxy]-4-pyrimidinyl]-, (2S)-
CAS	2761063-99-2
Molecular Formula	C21H23N5O2
Molecular Weight	377.44
MOL File	2761063-99-2.mol

Chemical Properties

Boiling point	613.7±55.0 °C(Predicted)
density	1.36±0.1 g/cm3(Predicted)
storage temp.	Store at -20°C
solubility	DMSO : 100 mg/mL (264.94 mM; Need ultrasonic)
form	Oil
pka	5.85±0.26(Predicted)
color	Colorless to light yellow

Hazard Information

Uses

ELOVL1-IN-3 (Compound 22) is a potent and orally active inhibitor of elongation of very long chain fatty acid 1 (ELOVL1) enzyme. ELOVL1-IN-3 serves as a useful tool for researching adrenoleukodystrophy (ALD)[1].

Biological Activity

in vivo

ELOVL1-IN-3 (1-32 mg/kg, p.o., once daily, for 3 months) significantly reduced blood C26:0 lysophosphatidylcholine (LPC) levels in ABCD1 knockout C57BL/6 mice^[1]. ELOVL1-IN-3 (10 or 50 mg/kg, p.o., once daily, for 28 days) significantly reduced blood C26:0 lysophosphatidylcholine (LPC) levels in Sprague-Dawley rats^[1]. ELOVL1-IN-3 (6.5 or 50 mg/kg, p.o., once daily, for 14 days) significantly reduced blood C26:0 lysophosphatidylcholine (LPC) levels in cynomolgus monkeys^[1].

Animal Model:	ATP binding cassette transporter D1 (ABCD1) knockout mouse model (Adrenoleukodystrophy (ALD) disease)^[1]
Dosage:	1, 4, 8, 16, or 32 mg/kg
Administration:	Oral gavage (p.o.), once daily for 3 months
Result:	Significantly reduced blood C26:0 LPC levels (8 mg/kg or higher brought levels near wild-type).

Animal Model:	Sprague-Dawley rats
Dosage:	10 or 50 mg/kg
Administration:	Oral gavage (p.o.), once daily for 28 days
Result:	Reduced blood C26:0 LPC levels by 78% and 79%, respectively.

Animal Model:	Cynomolgus monkey
Dosage:	6.5 or 50 mg/kg
Administration:	Oral gavage (p.o.), once daily for 14 days
Result:	Reduced blood C26:0 LPC levels by 47% and 65%, respectively.

storage

Store at -20°C

References

[1]. Boyd MJ, et al. Discovery of Novel, Orally Bioavailable Pyrimidine Ether-Based Inhibitors of ELOVL1. J Med Chem. 2021;64(24):17777-17794.

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