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ChemicalBook--->CAS DataBase List--->1233332-14-3

1233332-14-3

1233332-14-3 Structure

1233332-14-3 Structure
IdentificationBack Directory
[Name]

NIBR 0213
[CAS]

1233332-14-3
[Synonyms]

NIBR 0213
NIBR-0213 >=98% (HPLC)
KYHUARFFBDLROH-MOPGFXCFSA-N
L-Alanine, N-[[3'-[[(1R)-1-(4-chloro-3-methylphenyl)ethyl]amino]-3,5-dimethyl[1,1'-biphenyl]-4-yl]carbonyl]-
[Molecular Formula]

C27H29ClN2O3
[MOL File]

1233332-14-3.mol
[Molecular Weight]

464.98
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 25 mg/ml; DMSO: 25 mg/ml; Ethanol: 25 mg/ml; Ethanol:PBS(pH 7.2) (1:5): 0.15 mg/ml
[form ]

A crystalline solid
[color ]

Off-white to light yellow
Hazard InformationBack Directory
[Uses]

NIBR 0213 is a potent and selective inhibitor of sphingosine 1-phosphate receptor-1 (S1P1), a G protein-coupled receptor that has been highlighted as a promising therapeutic target in autoimmunity disorders.
[Biological Activity]

NIBR-0213 is an orally activepotent and S1P1-selective sphingosine 1-phosphate (S1P) receptor antagonist th at blocks S1P1-selective ligand AUY954-induced Ca2+ mobilization (IC50 = 2.5 nM using human S1P1-transfected HeLa cells; IC50 >10 μM with human S1P2S1P3or S1P4 transfectants) and S1P-induced GTPγS recruitment (IC50 = 2.0/2.3/8.5 nM using membrane from human/murine/r at S1P1-transfected CHO cells; IC50 >10 μM with membrane from human S1P5 transfectant). NIBR-0213 induces long-lasting peripheral blood lymphocyte reduction in rats (EDmax = 1 mg/kgED50 = 0.2 mg/kg; p.o.) and exhibits therapeutic efficacy (30 mg/kg p.o; BID) in experimental autoimmune encephalomyelitis (EAE)a murine model of multiple sclerosis (MS)with no adverse effects to the animals.
[in vivo]

NIBR-0213 (given orally at 30 mg/kg to rats) reduces the peripheral blood lymphocyte (PBL) counts by 75%-85% within 14 hr and maintained this effect up to 24 hr posttreatment[1].
NIBR-0213 (30 mg/kg and 60 mg/kg) is efficacious when given therapeutically in a mouse experimental autoimmune encephalomyelitis (EAE) model[1].
The PK properties of NIBR-0213 shows a moderate clearance (26 mL/min/kg) and a high oral bioavailability (69%), leading to significant exposure after oral dosing[1].

Animal Model:Lewis or Wistar rats (220-250 g, males)[1]
Dosage:30?mg/kg
Administration:Orally
Result:Reduced the PBL counts by 75%-85% within 14?hr and maintained this effect up to 24?hr posttreatment.
Animal Model:C57BL/6 mice bearing EAE model[1]
Dosage:30?mg/kg and 60?mg/kg
Administration:30?mg/kg twice per day (BID) for 3?days and then increased to 60?mg/kg BID until the remainder of the experiment. In total, the treatment lasted 26?days
Result:Resulted in a gradual reduction in disease-scores, with a divergence from vehicle controls that became significant after 5?days.
Spectrum DetailBack Directory
[Spectrum Detail]

NIBR 0213(1233332-14-3)1HNMR
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