Synonym
RO2959 Hydrochloride; RO2959 HCl; RO2959; RO 2959; RO-2959;
IUPAC/Chemical Name
2,6-Difluoro-N-{5-[4-methyl-1-(5-methyl-thiazol-2-yl)-1,2,5,6-tetrahydro-pyridin-3-yl]-pyrazin-2-yl}-benzamide Hydrochloride
InChi Key
GMLSDODALBRLPE-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H19F2N5OS.ClH/c1-12-6-7-28(21-26-8-13(2)30-21)11-14(12)17-9-25-18(10-24-17)27-20(29)19-15(22)4-3-5-16(19)23;/h3-5,8-10H,6-7,11H2,1-2H3,(H,25,27,29);1H
SMILES Code
O=C(NC1=NC=C(C2=C(C)CCN(C3=NC=C(C)S3)C2)N=C1)C4=C(F)C=CC=C4F.[H]Cl
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Biological target:
RO2959 completely inhibited cytokine production as well as T cell proliferation mediated by TCR stimulation or MLR (mixed lymphocyte reaction). RO2959 potently blocked TCR triggered gene expression and T cell functional pathways similar to CsA and another calcineurin inhibitor FK506.
In vitro activity:
These data from this study provide evidence that RO2959 is a novel and selective CRAC current inhibitor that potently inhibits human T cell functions. RO2959 blocked an IP3-dependent current in CRAC-expressing RBL-2H3 cells and CHO cells stably expressing human Orai1 and Stim1, as well as SOCE in human primary CD4(+) T cells triggered by either TCR stimulation or thapsigargin treatment.
Reference: Mol Immunol. 2013 Jul;54(3-4):355-67. https://pubmed.ncbi.nlm.nih.gov/23357789/
In vivo activity:
To be determined
|
Solvent |
mg/mL |
mM |
| Solubility |
| DMSO |
10.0 |
21.55 |
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
463.93
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
Formulation protocol:
1. Zheng C, Lo CY, Meng Z, Li Z, Zhong M, Zhang P, Lu J, Yang Z, Yan F, Zhang Y, Huang Y, Yao X. Gastrodin Inhibits Store-Operated Ca2+ Entry and Alleviates Cardiac Hypertrophy. Front Pharmacol. 2017 Apr 25;8:222. doi: 10.3389/fphar.2017.00222. PMID: 28487655; PMCID: PMC5404510.
2. Chen G, Panicker S, Lau KY, Apparsundaram S, Patel VA, Chen SL, Soto R, Jung JK, Ravindran P, Okuhara D, Bohnert G, Che Q, Rao PE, Allard JD, Badi L, Bitter HM, Nunn PA, Narula SK, DeMartino JA. Characterization of a novel CRAC inhibitor that potently blocks human T cell activation and effector functions. Mol Immunol. 2013 Jul;54(3-4):355-67. doi: 10.1016/j.molimm.2012.12.011. Epub 2013 Jan 26. PMID: 23357789.
In vitro protocol:
1. Zheng C, Lo CY, Meng Z, Li Z, Zhong M, Zhang P, Lu J, Yang Z, Yan F, Zhang Y, Huang Y, Yao X. Gastrodin Inhibits Store-Operated Ca2+ Entry and Alleviates Cardiac Hypertrophy. Front Pharmacol. 2017 Apr 25;8:222. doi: 10.3389/fphar.2017.00222. PMID: 28487655; PMCID: PMC5404510.
2. Chen G, Panicker S, Lau KY, Apparsundaram S, Patel VA, Chen SL, Soto R, Jung JK, Ravindran P, Okuhara D, Bohnert G, Che Q, Rao PE, Allard JD, Badi L, Bitter HM, Nunn PA, Narula SK, DeMartino JA. Characterization of a novel CRAC inhibitor that potently blocks human T cell activation and effector functions. Mol Immunol. 2013 Jul;54(3-4):355-67. doi: 10.1016/j.molimm.2012.12.011. Epub 2013 Jan 26. PMID: 23357789.
In vivo protocol:
To be determined
1: Zheng C, Lo CY, Meng Z, Li Z, Zhong M, Zhang P, Lu J, Yang Z, Yan F, Zhang Y,
Huang Y, Yao X. Gastrodin Inhibits Store-Operated Ca(2+) Entry and Alleviates
Cardiac Hypertrophy. Front Pharmacol. 2017 Apr 25;8:222. doi:
10.3389/fphar.2017.00222. eCollection 2017. PubMed PMID: 28487655; PubMed Central
PMCID: PMC5404510.
2: Chen G, Panicker S, Lau KY, Apparsundaram S, Patel VA, Chen SL, Soto R, Jung
JK, Ravindran P, Okuhara D, Bohnert G, Che Q, Rao PE, Allard JD, Badi L, Bitter
HM, Nunn PA, Narula SK, DeMartino JA. Characterization of a novel CRAC inhibitor
that potently blocks human T cell activation and effector functions. Mol Immunol.
2013 Jul;54(3-4):355-67. doi: 10.1016/j.molimm.2012.12.011. Epub 2013 Jan 26.
PubMed PMID: 23357789.
