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MedKoo Cat#: 561740 | Name: PRN694

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

PRN694
CAS#1575818-46-0

Theoretical Analysis

MedKoo Cat#: 561740

Name: PRN694

CAS#: 1575818-46-0

Chemical Formula: C28H35F2N5O2S

Exact Mass: 543.2480

Molecular Weight: 543.67

Elemental Analysis: C, 61.86; H, 6.49; F, 6.99; N, 12.88; O, 5.89; S, 5.90

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
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

Preparing Stock Solutions

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.

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
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.