Cat. No.: HY-18166

NIBR0213

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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.

For research use only. We do not sell to patients.

Purity: 98.91%
CAS No.: 1233332-14-3
Formula: C₂₇H₂₉ClN₂O₃
Molecular Weight:464.98

Storage:

-20°C, sealed storage, away from moisture

* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

NIBR0213 Chemical Structure

CAS No.: 1233332-14-3

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Biological Activity
- Description
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Solvent & Solubility
- In Vitro
Purity & Documentation
References
Help & FAQs
Classifications
Bioz

Biological Activity

Description

All LPL Receptor Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
CHO	IC₅₀	>10 μM Compound: 38, NIBR-0213	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	[PMID: 24125884]
CHO	IC₅₀	>10 μM Compound: 38, NIBR-0213	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	[PMID: 24125884]
CHO	IC₅₀	>10 μM Compound: 38, NIBR-0213	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	[PMID: 24125884]
CHO	IC₅₀	>10 μM Compound: 38, NIBR-0213	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	[PMID: 24125884]
CHO	IC₅₀	2 nM Compound: 38, NIBR-0213	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	[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 K_d 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 (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].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

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.

Chemical Information

CAS No. 1233332-14-3
Appearance Solid
Molecular Weight 464.98
Formula C₂₇H₂₉ClN₂O₃
Color Off-white to light yellow
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
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

-20°C, sealed storage, away from moisture

* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

Solvent & Solubility

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.

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

2.1506 mL

10.7532 mL

21.5063 mL

5 mM

0.4301 mL

2.1506 mL

4.3013 mL

10 mM

0.2151 mL

1.0753 mL

2.1506 mL

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.

Molarity Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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Dilution Calculator

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Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (271 KB)
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)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

References

[1]. Jean Quancard, et al. A potent and selective S1P(1) antagonist with efficacy in experimental autoimmune encephalomyelitis. Chem Biol. 2012 Sep 21;19(9):1142-51. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

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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NIBR0213

Orally Active Compound Library

Anti-Pulmonary Fibrosis Compound Library

Membrane Protein-targeted Compound Library

Membrane Receptor-targeted Compound Library

Highly Selective Inhibitors Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Lactylation Compound Library

GPCR/G Protein Compound Library

Immunology/Inflammation Compound Library

All LPL Receptor Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

NIBR0213

Orally Active Compound Library

Anti-Pulmonary Fibrosis Compound Library

Membrane Protein-targeted Compound Library

Membrane Receptor-targeted Compound Library

Highly Selective Inhibitors Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Lactylation Compound Library

GPCR/G Protein Compound Library

Immunology/Inflammation Compound Library

All LPL Receptor Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

NIBR0213 Related Classifications

HY-18166 Related Classifications