NIBR0213
Based on 1 Customer Validation
NIBR-0213 is a potent, orally active and selective S1P1 antagonist with efficacy in experimental autoimmune encephalomyelitis. NIBR-0213 displays potent and comparable potency on human and rat S1P1 (IC50 of 2.0 nM and 2.3 nM, respectively) in GTPγ35S assays.
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- Purity: 98.91%
- CAS No.: 1233332-14-3
- 화학식: C27H29ClN2O3
- 분자량:464.98
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보관:
-20°C, sealed storage, away from moisture
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
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Biological Activity
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Chemical Information
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용액&용해도
- 순도&문서
- References
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Help & FAQs
Biological Activity
제품 설명
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| CHO | IC50 |
>10 μM
Compound: 38, NIBR-0213
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Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium mobilization preincubated for 20 mins by Fluo-4/FLIPR method
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium mobilization preincubated for 20 mins by Fluo-4/FLIPR method
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[PMID: 24125884] |
| CHO | IC50 |
>10 μM
Compound: 38, NIBR-0213
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Antagonist activity at human S1P3 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium mobilization preincubated for 20 mins by Fluo-4/FLIPR method
Antagonist activity at human S1P3 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium mobilization preincubated for 20 mins by Fluo-4/FLIPR method
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[PMID: 24125884] |
| CHO | IC50 |
>10 μM
Compound: 38, NIBR-0213
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Antagonist activity at human S1P4 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium mobilization preincubated for 20 mins by Fluo-4/FLIPR method
Antagonist activity at human S1P4 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium mobilization preincubated for 20 mins by Fluo-4/FLIPR method
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[PMID: 24125884] |
| CHO | IC50 |
>10 μM
Compound: 38, NIBR-0213
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Antagonist activity at human S1P5 receptor expressed in CHO cells after 120 mins by [35S]GTPgammaS binding assay
Antagonist activity at human S1P5 receptor expressed in CHO cells after 120 mins by [35S]GTPgammaS binding assay
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[PMID: 24125884] |
| CHO | IC50 |
2 nM
Compound: 38, NIBR-0213
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Antagonist activity at human S1P1 receptor expressed in CHO cells after 120 mins by [35S]GTPgammaS binding assay
Antagonist activity at human S1P1 receptor expressed in CHO cells after 120 mins by [35S]GTPgammaS binding assay
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[PMID: 24125884] |
In Vitro
NIBR-0213 displays an inhibitory activity on hS1P1 with an IC50 of 2.5 nM whereas it is inactive (IC50 >10 μM) on S1P2, S1P3, and S1P4 in Ca2+ mobilization assays[1].
NIBR-0213 displays potent and comparable potency on human and rat S1P1 (IC50 of 2.0 nM and 2.3 nM, respectively) in GTPγ35S assays, whereas on mouse S1P1 with an IC50 of 8.5 nM[1].
NIBR-0213 shows an about 3,000-fold selectivity against human S1P5 in the GTPγ35S assay[1].
NIBR-0213 is a competitive S1P1 antagonist with a calculated Kd of 0.37±0.031 nM[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
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].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Lewis or Wistar rats (220-250 g, males)[1]
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Dosage:30 mg/kg
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Administration:Orally
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Result:Reduced the PBL counts by 75%-85% within 14 hr and maintained this effect up to 24 hr posttreatment.
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Animal Model:C57BL/6 mice bearing EAE model[1]
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Dosage:30 mg/kg and 60 mg/kg
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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
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Result:Resulted in a gradual reduction in disease-scores, with a divergence from vehicle controls that became significant after 5 days.
Chemical Information
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CAS No. 1233332-14-3
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Appearance Solid
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분자량 464.98
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화학식 C27H29ClN2O3
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Color Off-white to light yellow
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SMILES
ClC1=CC=C([C@@H](C)NC2=CC=CC(C3=CC(C)=C(C(N[C@@H](C)C(O)=O)=O)C(C)=C3)=C2)C=C1C
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선적
Room temperature in continental US; may vary elsewhere.
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보관
-20°C, sealed storage, away from moisture
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
용액&용해도
In Vitro:
DMSO : 100 mg/mL (215.06 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Ethanol : ≥ 25 mg/mL (53.77 mM)
* "≥" means soluble, but saturation unknown.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
순도&문서
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Data Sheet (271 KB)
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SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
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Handling Instructions (2659 KB)
References
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| Ethanol / DMSO | 1 mM | 2.1506 mL | 10.7532 mL | 21.5063 mL | 53.7658 mL |
| 5 mM | 0.4301 mL | 2.1506 mL | 4.3013 mL | 10.7532 mL | |
| 10 mM | 0.2151 mL | 1.0753 mL | 2.1506 mL | 5.3766 mL | |
| 15 mM | 0.1434 mL | 0.7169 mL | 1.4338 mL | 3.5844 mL | |
| 20 mM | 0.1075 mL | 0.5377 mL | 1.0753 mL | 2.6883 mL | |
| 25 mM | 0.0860 mL | 0.4301 mL | 0.8603 mL | 2.1506 mL | |
| 30 mM | 0.0717 mL | 0.3584 mL | 0.7169 mL | 1.7922 mL | |
| 40 mM | 0.0538 mL | 0.2688 mL | 0.5377 mL | 1.3441 mL | |
| 50 mM | 0.0430 mL | 0.2151 mL | 0.4301 mL | 1.0753 mL | |
| DMSO | 60 mM | 0.0358 mL | 0.1792 mL | 0.3584 mL | 0.8961 mL |
| 80 mM | 0.0269 mL | 0.1344 mL | 0.2688 mL | 0.6721 mL | |
| 100 mM | 0.0215 mL | 0.1075 mL | 0.2151 mL | 0.5377 mL |
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