ChemicalBook Product Catalog API Drugs Influencing Immune Function Immunomodulators 3-Piperidinecarboxamide, 1-(cyclopropylmethyl)-4-[[[5-(2,4-difluorophenyl)-3-isoxazolyl]carbonyl]amino]-N-[1-(2-pyrimidinyl)cyclopropyl]-, (3S,4S)-

3-Piperidinecarboxamide, 1-(cyclopropylmethyl)-4-[[[5-(2,4-difluorophenyl)-3-isoxazolyl]carbonyl]amino]-N-[1-(2-pyrimidinyl)cyclopropyl]-, (3S,4S)-

Product Name3-Piperidinecarboxamide, 1-(cyclopropylmethyl)-4-[[[5-(2,4-difluorophenyl)-3-isoxazolyl]carbonyl]amino]-N-[1-(2-pyrimidinyl)cyclopropyl]-, (3S,4S)-
CAS2178049-58-4
MFC27H28F2N6O3
MW522.55
EINECS
MOL File2178049-58-4.mol

Chemical Properties

Boiling point	751.3±60.0 °C(Predicted)
Density	1.42±0.1 g/cm3(Predicted)
pka	6.28±0.40(Predicted)
form	Solid
color	White to off-white

Usage And Synthesis

Uses

ACT-1004-1239 is a potent, selective, orally active CXCR7 antagonist with an IC50 value of 3.2 nM[1][2].

in vivo

ACT-1004-1239 (100 mg/kg, p.o.) increase of plasma CXCL12 concentration in naive male DBA/1 mice^[1].
ACT-1004-1239 (100 mg/kg, p.o., twice daily) reduces disease severity in myelin oligodendrocyte glycoprotein (MOG)-induced experimental autoimmune encephalomyelitis (EAE) model^[2].
ACT-1004-1239 (100 mg/kg, p.o., twice daily) increases myelination in the Cuprizone (HY-W115718)-induced demyelination model mice^[2].
ACT-1004-1239 (10 mg/kg, p.o., rats) shows a C_max of 600 ng/h/mL, T_max of 0.5 h, F (%) of 35%^[1].
ACT-1004-1239 (1 mg/kg, i.v., rats) shows a Vss of 3.6 L/kg, Cl of 70 mL/min/kg, T_1/2 of 1.3 h^[1].

Animal Model:	Myelin oligodendrocyte glycoprotein (MOG)-induced experimental autoimmune encephalomyelitis (EAE) model^[2]
Dosage:	10-100 mg/kg
Administration:	p.o., twice daily
Result:	Reduced clinical disease scores, and increases survival rate. Increases plasma CXCL12 concentration. Reduces the infiltration of neutrophils, monocytes, monocytes-derived cells (MdCs), plasmacytoid dendritic cells (pDCs), DCs, natural killer (NK) cells, NK T cells, B cells, and T cells. Reduces the number of CXCR4-expressing leukocytes.

IC 50

CXCR7

References

[1] Richard-Bildstein S, et al. Discovery of the Potent, Selective, Orally Available CXCR7 Antagonist ACT-1004-1239. J Med Chem. 2020 Dec 24;63(24):15864-15882. DOI:10.1021/acs.jmedchem.0c01588
[2] Pouzol L, et al. ACT-1004-1239, a first-in-class CXCR7 antagonist with both immunomodulatory and promyelinating effects for the treatment of inflammatory demyelinating diseases. FASEB J. 2021 Mar;35(3):e21431. DOI:10.1096/fj.202002465R

3-Piperidinecarboxamide, 1-(cyclopropylmethyl)-4-[[[5-(2,4-difluorophenyl)-3-isoxazolyl]carbonyl]amino]-N-[1-(2-pyrimidinyl)cyclopropyl]-, (3S,4S)- Supplier

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