R112
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MedKoo CAT#: 401780

CAS#: 575474-82-7

Description: R112 is a Syk inhibitor. R112 inhibited degranulation induced by anti-IgE cross-linking in mast cells (tryptase release, effective concentration for 50% inhibition [EC(50)] = 353 nmol/L) or basophils (histamine release, EC(50) = 280 nmol/L), and by allergen (dust mite) in basophils (histamine release, EC(50) = 490 nmol/L). R112 also blocked leukotriene C4 production and all proinflammatory cytokines tested. Subsequent molecular characterization indicated that R112 is an ATP-competitive spleen tyrosine kinase (Syk) inhibitor (inhibitory constant [K(i)] = 96 nmol/L).

Chemical Structure

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R112
CAS# 575474-82-7
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 401780
Name: R112
CAS#: 575474-82-7
Chemical Formula: C16H13FN4O2
Exact Mass: 312.10
Molecular Weight: 312.300
Elemental Analysis: C, 61.53; H, 4.20; F, 6.08; N, 17.94; O, 10.25

Price and Availability

Size Price Availability Quantity
5mg USD 90 Ready to ship
10mg USD 150 Ready to ship
25mg USD 300 Ready to ship
50mg USD 500 Ready to ship
100mg USD 900 Ready to ship
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Synonym: R112; R112; R 112.

IUPAC/Chemical Name: 3,3'-((5-fluoropyrimidine-2,4-diyl)bis(azanediyl))diphenol

InChi Key: TVKGTSHBQZEFEE-UHFFFAOYSA-N

InChi Code: InChI=1S/C16H13FN4O2/c17-14-9-18-16(20-11-4-2-6-13(23)8-11)21-15(14)19-10-3-1-5-12(22)7-10/h1-9,22-23H,(H2,18,19,20,21)

SMILES Code: FC1=CN=C(NC2=CC(O)=CC=C2)N=C1NC3=CC(O)=CC=C3

Appearance: White to off white solid powder

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, not soluble in water.

Shelf Life: >5 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

More Info:         

Biological target: R112 is an inhibitor of spleen tyrosine kinase (Syk; IC50 = 226 nM in cultured human mast cells) that acts in an ATP-competitive and reversible manner (Ki = 96 nM).
In vitro activity: Activation of the IgE receptor, FcvarepsilonRI, in mast cells is the key mechanism initiating and propagating pathophysiological responses in allergic rhinitis. Unlike other mast cell inhibitors, R112 was able to completely inhibit all three IgE-induced mast cell functions: degranulation, lipid mediator production, and cytokine production. Reference: J Allergy Clin Immunol. 2006 Sep;118(3):749-55. https://pubmed.ncbi.nlm.nih.gov/16950297/
In vivo activity: R112 significantly reduced the Global Symptom Complex (GSC) scale compared with placeboin a study of 319 people. Each individual symptom combined to form the GSC was also significantly improved in the R112 group compared with control. As early as 45 minutes after dosing, R112 showed a significant improvement in symptoms over placebo, and the duration exceeded 4 hours. Reference: J Allergy Clin Immunol. 2005 Apr;115(4):791-6. https://pubmed.ncbi.nlm.nih.gov/15806000/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 30.0 96.10

Preparing Stock Solutions

The following data is based on the product molecular weight 312.30 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.

Recalculate based on batch purity %
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. Rossi AB, Herlaar E, Braselmann S, Huynh S, Taylor V, Frances R, Issakani SD, Argade A, Singh R, Payan DG, Masuda ES. Identification of the Syk kinase inhibitor R112 by a human mast cell screen. J Allergy Clin Immunol. 2006 Sep;118(3):749-55. doi: 10.1016/j.jaci.2006.05.023. Epub 2006 Jul 28. PMID: 16950297. 2. Guyer BJ, Shimamoto SR, Bradhurst AL, Grossbard EB, Dreskin SC, Nelson HS. Mast cell inhibitor R112 is well tolerated and affects prostaglandin D2 but not other mediators, symptoms, or nasal volumes in a nasal challenge model of allergic rhinitis. Allergy Asthma Proc. 2006 May-Jun;27(3):208-13. doi: 10.2500/aap.2006.27.2861. PMID: 16913263. 3. Meltzer EO, Berkowitz RB, Grossbard EB. An intranasal Syk-kinase inhibitor (R112) improves the symptoms of seasonal allergic rhinitis in a park environment. J Allergy Clin Immunol. 2005 Apr;115(4):791-6. doi: 10.1016/j.jaci.2005.01.040. PMID: 15806000.
In vitro protocol: 1. Rossi AB, Herlaar E, Braselmann S, Huynh S, Taylor V, Frances R, Issakani SD, Argade A, Singh R, Payan DG, Masuda ES. Identification of the Syk kinase inhibitor R112 by a human mast cell screen. J Allergy Clin Immunol. 2006 Sep;118(3):749-55. doi: 10.1016/j.jaci.2006.05.023. Epub 2006 Jul 28. PMID: 16950297.
In vivo protocol: 1. Guyer BJ, Shimamoto SR, Bradhurst AL, Grossbard EB, Dreskin SC, Nelson HS. Mast cell inhibitor R112 is well tolerated and affects prostaglandin D2 but not other mediators, symptoms, or nasal volumes in a nasal challenge model of allergic rhinitis. Allergy Asthma Proc. 2006 May-Jun;27(3):208-13. doi: 10.2500/aap.2006.27.2861. PMID: 16913263. 2. Meltzer EO, Berkowitz RB, Grossbard EB. An intranasal Syk-kinase inhibitor (R112) improves the symptoms of seasonal allergic rhinitis in a park environment. J Allergy Clin Immunol. 2005 Apr;115(4):791-6. doi: 10.1016/j.jaci.2005.01.040. PMID: 15806000.

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1: Rossi AB, Herlaar E, Braselmann S, Huynh S, Taylor V, Frances R, Issakani SD, Argade A, Singh R, Payan DG, Masuda ES. Identification of the Syk kinase inhibitor R112 by a human mast cell screen. J Allergy Clin Immunol. 2006 Sep;118(3):749-55. Epub 2006 Jul 28. PubMed PMID: 16950297.

2: Guyer BJ, Shimamoto SR, Bradhurst AL, Grossbard EB, Dreskin SC, Nelson HS. Mast cell inhibitor R112 is well tolerated and affects prostaglandin D2 but not other mediators, symptoms, or nasal volumes in a nasal challenge model of allergic rhinitis. Allergy Asthma Proc. 2006 May-Jun;27(3):208-13. PubMed PMID: 16913263.

3: Meltzer EO, Berkowitz RB, Grossbard EB. An intranasal Syk-kinase inhibitor (R112) improves the symptoms of seasonal allergic rhinitis in a park environment. J Allergy Clin Immunol. 2005 Apr;115(4):791-6. PubMed PMID: 15806000.

4: Kang AK, Jenkins DJ, Wolever TM, Huff MW, Maguire GF, Connelly PW, Hegele RA. Apolipoprotein E R112; R251G: a carboxy-terminal variant found in patients with hyperlipidemia and coronary heart disease. Mutat Res. 1997 Sep;382(1-2):57-65. PubMed PMID: 9360638.