WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 565488
CAS#: N/A
Description: iFit4 is a novel selective inhibitor of fkbp51 and fkbp52
MedKoo Cat#: 565488
Name: iFit4
CAS#: N/A
Chemical Formula: C46H60N2O10
Exact Mass: 800.4248
Molecular Weight: 800.99
Elemental Analysis: C, 68.98; H, 7.55; N, 3.50; O, 19.97
This product is not in stock, which may be available by custom synthesis.
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Synonym: iFit4; iFit 4; iFit-4
IUPAC/Chemical Name: (R)-3-(3,4-Dimethoxyphenyl)-1-(3-(2-morpholinoethoxy)phenyl)propyl (S)-1-((S)-2-((S)-cyclohex-2-en-1-yl)-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxylate
InChi Key: LMMQNDBBWIKJQS-CNKHDIINSA-N
InChi Code: InChI=1S/C46H60N2O10/c1-51-39-20-18-32(28-40(39)52-2)17-19-38(34-14-11-15-36(29-34)57-27-24-47-22-25-56-26-23-47)58-46(50)37-16-9-10-21-48(37)45(49)43(33-12-7-6-8-13-33)35-30-41(53-3)44(55-5)42(31-35)54-4/h7,11-12,14-15,18,20,28-31,33,37-38,43H,6,8-10,13,16-17,19,21-27H2,1-5H3/t33-,37+,38-,43+/m1/s1
SMILES Code: O=C([C@H]1N(C([C@@H]([C@@H]2C=CCCC2)C3=CC(OC)=C(OC)C(OC)=C3)=O)CCCC1)O[C@@H](C4=CC=CC(OCCN5CCOCC5)=C4)CCC6=CC=C(OC)C(OC)=C6
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: >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
The following data is based on the product molecular weight 800.99 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 |
1: Shi D, Bai Q, Zhou S, Liu X, Liu H, Yao X. Molecular dynamics simulation, binding free energy calculation and unbinding pathway analysis on selectivity difference between FKBP51 and FKBP52: Insight into the molecular mechanism of isoform selectivity. Proteins. 2018 Jan;86(1):43-56. doi: 10.1002/prot.25401. Epub 2017 Oct 26. PubMed PMID: 29023988.
2: Armas-González E, Díaz-Martín A, Domínguez-Luis MJ, Arce-Franco MT, Herrera-García A, Hernández-Hernández MV, Bustabad S, Usategui A, Pablos JL, Cañete JD, Díaz-González F. Differential Antigen-presenting B Cell Phenotypes from Synovial Microenvironment of Patients with Rheumatoid and Psoriatic Arthritis. J Rheumatol. 2015 Oct;42(10):1825-34. doi: 10.3899/jrheum.141577. Epub 2015 Jul 15. PubMed PMID: 26178284.
3: Tang J, Gu Y, Zhang M, Ye S, Chen X, Guo Q, Qian J, Bao C, Chen S, Shen N. Increased expression of the type I interferon-inducible gene, lymphocyte antigen 6 complex locus E, in peripheral blood cells is predictive of lupus activity in a large cohort of Chinese lupus patients. Lupus. 2008 Sep;17(9):805-13. doi: 10.1177/0961203308089694. PubMed PMID: 18755862.
4: Huang X, Shen N, Bao C, Gu Y, Wu L, Chen S. Interferon-induced protein IFIT4 is associated with systemic lupus erythematosus and promotes differentiation of monocytes into dendritic cell-like cells. Arthritis Res Ther. 2008;10(4):R91. doi: 10.1186/ar2475. Epub 2008 Aug 15. PubMed PMID: 18706081; PubMed Central PMCID: PMC2575605.
5: Huang X, Yang N, Ou X, Li D, Wang Z, Xie Q, Chen Y, Lin H, Yin G, Wen F. Sequential activation of protein kinase C delta and JNK is required for interferon-alpha-induced expression of IFIT4. Cell Signal. 2008 Jan;20(1):112-9. Epub 2007 Sep 26. PubMed PMID: 17933493.
6: Zhou Q, Amar S. Identification of proteins differentially expressed in human monocytes exposed to Porphyromonas gingivalis and its purified components by high-throughput immunoblotting. Infect Immun. 2006 Feb;74(2):1204-14. PubMed PMID: 16428770; PubMed Central PMCID: PMC1360359.
7: Ishii K, Kurita-Taniguchi M, Aoki M, Kimura T, Kashiwazaki Y, Matsumoto M, Seya T. Gene-inducing program of human dendritic cells in response to BCG cell-wall skeleton (CWS), which reflects adjuvancy required for tumor immunotherapy. Immunol Lett. 2005 May 15;98(2):280-90. Epub 2004 Dec 30. PubMed PMID: 15860229.
8: de Veer MJ, Sim H, Whisstock JC, Devenish RJ, Ralph SJ. IFI60/ISG60/IFIT4, a new member of the human IFI54/IFIT2 family of interferon-stimulated genes. Genomics. 1998 Dec 1;54(2):267-77. PubMed PMID: 9828129.
