WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H561740
CAS#: 1575818-46-0
Description: PRN694 is a highly selective and potent covalent inhibitor of Tec kinases IL-2-inducible T cell kinase (ITK) and resting lymphocyte kinase (RLK). It inhibits Th1 and Th17 differentiation and cytokine production.
Hodoodo Cat#: H561740
Name: PRN694
CAS#: 1575818-46-0
Chemical Formula: C28H35F2N5O2S
Exact Mass: 543.25
Molecular Weight: 543.670
Elemental Analysis: C, 61.86; H, 6.49; F, 6.99; N, 12.88; O, 5.89; S, 5.90
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Synonym: PRN694; PRN-694; PRN 694;
IUPAC/Chemical Name: 5-(Difluoromethyl)-N-[1-[[(2R)-1-(1-oxo-2-propen-1-yl)-2-pyrrolidinyl]methyl]-5-[[[(1S)-1,2,2-trimethylpropyl]amino]methyl]-1H-benzimidazol-2-yl]-2-thiophenecarboxamide
InChi Key: NXTKFBGDLDPFLB-PKOBYXMFSA-N
InChi Code: InChI=1S/C28H35F2N5O2S/c1-6-24(36)34-13-7-8-19(34)16-35-21-10-9-18(15-31-17(2)28(3,4)5)14-20(21)32-27(35)33-26(37)23-12-11-22(38-23)25(29)30/h6,9-12,14,17,19,25,31H,1,7-8,13,15-16H2,2-5H3,(H,32,33,37)/t17-,19+/m0/s1
SMILES Code: O=C(C1=CC=C(C(F)F)S1)NC2=NC3=CC(CN[C@@H](C)C(C)(C)C)=CC=C3N2C[C@@H]4N(C(C=C)=O)CCC4
Appearance: 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
Shelf Life: >2 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: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 543.67 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: | |
In vitro protocol: | |
In vivo protocol: |
1: Fuhriman JM, Winge MCG, Haberstock-Debic H, Funk JO, Bradshaw JM, Marinkovich MP. ITK and RLK inhibitor PRN694 improves skin disease in two mouse models of psoriasis. J Invest Dermatol. 2017 Nov 9. pii: S0022-202X(17)33145-7. doi: 10.1016/j.jid.2017.10.029. [Epub ahead of print] PubMed PMID: 29129599.
2: Cho HS, Shin HM, Haberstock-Debic H, Xing Y, Owens TD, Funk JO, Hill RJ, Bradshaw JM, Berg LJ. A Small Molecule Inhibitor of ITK and RLK Impairs Th1 Differentiation and Prevents Colitis Disease Progression. J Immunol. 2015 Nov 15;195(10):4822-31. doi: 10.4049/jimmunol.1501828. Epub 2015 Oct 14. PubMed PMID: 26466958; PubMed Central PMCID: PMC4635571.
3: Zhong Y, Dong S, Strattan E, Ren L, Butchar JP, Thornton K, Mishra A, Porcu P, Bradshaw JM, Bisconte A, Owens TD, Verner E, Brameld KA, Funk JO, Hill RJ, Johnson AJ, Dubovsky JA. Targeting interleukin-2-inducible T-cell kinase (ITK) and resting lymphocyte kinase (RLK) using a novel covalent inhibitor PRN694. J Biol Chem. 2015 Mar 6;290(10):5960-78. doi: 10.1074/jbc.M114.614891. Epub 2015 Jan 15. PubMed PMID: 25593320; PubMed Central PMCID: PMC4358234.