Product Name :
NIBR0213
Description:
NIBR-0213 is a potent and selective S1P(1) antagonist with efficacy in experimental autoimmune encephalomyelitis. NIBR-0213 is a potent 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.
CAS:
1233332-14-3
Molecular Weight:
464.98
Formula:
C27H29ClN2O3
Chemical Name:
(2S)-2-[(3′-{[(1R)-1-(4-chloro-3-methylphenyl)ethyl]amino}-3, 5-dimethyl-[1, 1′-biphenyl]-4-yl)formamido]propanoic acid
Smiles :
C[C@H](NC(=O)C1C(C)=CC(=CC=1C)C1=CC(=CC=C1)N[C@H](C)C1=CC(C)=C(Cl)C=C1)C(O)=O
InChiKey:
KYHUARFFBDLROH-MOPGFXCFSA-N
InChi :
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
Purity:
≥98% (or refer to the Certificate of Analysis)
Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition :
Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life:
≥12 months if stored properly.
Stock Solution Storage:
0 – 4 oC for 1 month or refer to the Certificate of Analysis.
Additional information:
NIBR-0213 is a potent and selective S1P(1) antagonist with efficacy in experimental autoimmune encephalomyelitis. NIBR-0213 is a potent 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.|Product information|CAS Number: 1233332-14-3|Molecular Weight: 464.98|Formula: C27H29ClN2O3|Chemical Name: (2S)-2-[(3′-{[(1R)-1-(4-chloro-3-methylphenyl)ethyl]amino}-3, 5-dimethyl-[1, 1′-biphenyl]-4-yl)formamido]propanoic acid|Smiles: C[C@H](NC(=O)C1C(C)=CC(=CC=1C)C1=CC(=CC=C1)N[C@H](C)C1=CC(C)=C(Cl)C=C1)C(O)=O|InChiKey: KYHUARFFBDLROH-MOPGFXCFSA-N|InChi: 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|Technical Data|Appearance: Solid Power|Purity: ≥98% (or refer to the Certificate of Analysis)|Solubility: To be determined|Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis|Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.|Shelf Life: ≥12 months if stored properly.|Stock Solution Storage: 0 – 4 oC for 1 month or refer to the Certificate of Analysis.{{Olverembatinib} medchemexpress|{Olverembatinib} Bcr-Abl|{Olverembatinib} Biological Activity|{Olverembatinib} References|{Olverembatinib} supplier|{Olverembatinib} Cancer} |Drug Formulation: To be determined|HS Tariff Code: 382200|How to use|In Vitro:|NIBR-0213 displays an inhibitory activity on hS1P1 with an IC50 of 2.{{Vibostolimab} web|{Vibostolimab} Technical Information|{Vibostolimab} Formula|{Vibostolimab} manufacturer|{Vibostolimab} Autophagy} 5 nM whereas it is inactive (IC50 >10 μM) on S1P2, S1P3, and S1P4 in Ca2+ mobilization assays.PMID:23626759 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. NIBR-0213 shows an ∼3, 000-fold selectivity against human S1P5 in the GTPγ35S assay. NIBR-0213 is a competitive S1P1 antagonist with a calculated Kd of 0.37±0.031 nM.|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. NIBR-0213 (30 mg/kg and 60 mg/kg) is efficacious when given therapeutically in a mouse experimental autoimmune encephalomyelitis (EAE) model. 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.|References:|Obinata H, Hla T. Fine-tuning S1P therapeutics. Chem Biol. 2012 Sep 21;19(9):1080-2. doi: 10.1016/j.chembiol.2012.09.002. PubMed PMID: 22999874; PubMed Central PMCID: PMC3625427.Quancard J, Bollbuck B, Janser P, Angst D, Berst F, Buehlmayer P, Streiff M, Beerli C, Brinkmann V, Guerini D, Smith PA, Seabrook TJ, Traebert M, Seuwen K, Hersperger R, Bruns C, Bassilana F, Bigaud M. A potent and selective S1P(1) antagonist with efficacy in experimental autoimmune encephalomyelitis. Chem Biol. 2012 Sep 21;19(9):1142-51. doi: 10.1016/j.chembiol.2012.07.016. PubMed PMID: 22999882.Products are for research use only. Not for human use.|