| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| ln Vitro |
In Ca2+ mobilization tests, NIBR-0213 is inert (IC50 >10 μM) on S1P2, S1P3, and S1P4, but exhibits inhibitory effect on hS1P1 (IC50 of 2.5 nM)[1]. In GTPγ35S tests, NIBR-0213 exhibits strong and similar activity against human and rat S1P1 (IC50 of 2.0 nM and 2.3 nM, respectively), but on mouse S1P1, it has an IC50 of 8.5 nM[1]. In the GTPγ35S test, NIBR-0213 exhibits a selectivity of approximately 3,000 times against human S1P5[1]. The Kd of NIBR-0213, a competitive antagonist of S1P1, is 0.37±0.031 nM [1].
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| ln Vivo |
When rats are given NIBR-0213 orally at a dose of 30 mg/kg, the peripheral blood lymphocyte (PBL) counts are reduced by 75%–85% after 14 hours, and this effect lasts for 24 hours after treatment[1]. When administered therapeutically, NIBR-0213 (30 mg/kg and 60 mg/kg) is effective in a mouse model of experimental autoimmune encephalomyelitis (EAE)[1]. NIBR-0213 exhibits strong oral bioavailability (69%) and moderate clearance (26 mL/min/kg) in its PK characteristics, which result in substantial exposure following oral dosage[1].
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| Animal Protocol |
Animal/Disease Models: Lewis or Wistar rats (220-250 g, males)[1]
Doses: 30 mg/kg Route of Administration: Orally Experimental Results: decreased the PBL counts by 75%-85% within 14 hr and maintained this effect up to 24 hr posttreatment. Animal/Disease Models: C57BL/6 mice bearing EAE model[1] Doses: 30 mg/kg and 60 mg/kg Route of 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 Experimental Results: Resulted in a gradual reduction in disease-scores, with a divergence from vehicle controls that became significant after 5 days. |
| References |
| Molecular Formula |
C27H29CLN2O3
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|---|---|
| Molecular Weight |
464.99
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| Exact Mass |
464.187
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| CAS # |
1233332-14-3
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| PubChem CID |
59393720
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
6.772
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
33
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| Complexity |
662
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC1=CC(=CC(=C1C(=O)N[C@@H](C)C(=O)O)C)C2=CC(=CC=C2)N[C@H](C)C3=CC(=C(C=C3)Cl)C
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| InChi Key |
KYHUARFFBDLROH-MOPGFXCFSA-N
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| InChi Code |
InChI=1S/C27H29ClN2O3/c1-15-11-20(9-10-24(15)28)18(4)29-23-8-6-7-21(14-23)22-12-16(2)25(17(3)13-22)26(31)30-19(5)27(32)33/h6-14,18-19,29H,1-5H3,(H,30,31)(H,32,33)/t18-,19+/m1/s1
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| Chemical Name |
(2S)-2-[[4-[3-[[(1R)-1-(4-chloro-3-methylphenyl)ethyl]amino]phenyl]-2,6-dimethylbenzoyl]amino]propanoic acid
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| Synonyms |
NIBR0213 NIBR 0213 NIBR-0213
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1506 mL | 10.7529 mL | 21.5058 mL | |
| 5 mM | 0.4301 mL | 2.1506 mL | 4.3012 mL | |
| 10 mM | 0.2151 mL | 1.0753 mL | 2.1506 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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