iFit4

    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


Chemical Structure

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iFit4
CAS# N/A

Theoretical Analysis

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

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

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

Preparing Stock Solutions

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.

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

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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.