SAFit1
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MedKoo CAT#: 562644

CAS#: 1643125-32-9

Description: SAFit1 is a selective inhibitor of the ​FK506-binding protein 51 (FKBP51).


Chemical Structure

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SAFit1
CAS# 1643125-32-9

Theoretical Analysis

MedKoo Cat#: 562644
Name: SAFit1
CAS#: 1643125-32-9
Chemical Formula: C42H53NO11
Exact Mass: 747.36
Molecular Weight: 747.880
Elemental Analysis: C, 67.45; H, 7.14; N, 1.87; O, 23.53

Price and Availability

Size Price Availability Quantity
5mg USD 550 2 Weeks
10mg USD 830 2 Weeks
25mg USD 1460 2 Weeks
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Synonym: SAFit1; SA-Fit-1; SAF-it-1; SAF it 1; SA Fit 1;

IUPAC/Chemical Name: 2-(3-((R)-1-((S)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carbonyloxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid

InChi Key: OEQZPFWOEOOISR-AKTKKGGCSA-N

InChi Code: InChI=1S/C42H53NO11/c1-48-34-20-18-27(22-35(34)49-2)17-19-33(29-14-11-15-31(23-29)53-26-38(44)45)54-42(47)32-16-9-10-21-43(32)41(46)39(28-12-7-6-8-13-28)30-24-36(50-3)40(52-5)37(25-30)51-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,44,45)/t32-,33+,39-/m0/s1

SMILES Code: O=C(O)COC1=CC=CC([C@H](OC([C@H]2N(C([C@@H](C3CCCCC3)C4=CC(OC)=C(OC)C(OC)=C4)=O)CCCC2)=O)CCC5=CC=C(OC)C(OC)=C5)=C1

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: To be determined

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:

Product Data:
Biological target: SAFit1 is a FK506 binding protein 51 (FKBP51)-specific inhibitor with a Ki of 4±0.3 nM.
In vitro activity: SAFit1 may hold promise as a therapeutic intervention to modulate the activity of FKBP51, potentially addressing glucocorticoid-induced insulin resistance. When human subcutaneous adipose tissue (SAT) samples were incubated with SAFit1, it exhibited the ability to partially counteract the detrimental effects of the synthetic glucocorticoid dexamethasone. SAFit1 played a role in mitigating the impairment of glucose uptake caused by glucocorticoids. Reference: Endocrine. 2018 Oct;62(1):116-128. https://pubmed.ncbi.nlm.nih.gov/30032404/
In vivo activity: This paper presents the development and validation data of an LC-MS/MS method for the simultaneous quantitation of SAFit1 and SAFit2 in mice plasma as per FDA regulatory guidelines. In mouse plasma, SAFit1 displayed a linear concentration range. SAFit1 exhibited stability under various conditions and was successfully applied in mice. Reference: Drug Res (Stuttg). 2020 Jul;70(7):325-332. https://pubmed.ncbi.nlm.nih.gov/32403135/

Preparing Stock Solutions

The following data is based on the product molecular weight 747.88 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. Sidibeh CO, Pereira MJ, Abalo XM, J Boersma G, Skrtic S, Lundkvist P, Katsogiannos P, Hausch F, Castillejo-López C, Eriksson JW. FKBP5 expression in human adipose tissue: potential role in glucose and lipid metabolism, adipogenesis and type 2 diabetes. Endocrine. 2018 Oct;62(1):116-128. doi: 10.1007/s12020-018-1674-5. Epub 2018 Jul 21. PMID: 30032404; PMCID: PMC6153563. 2. Gaali S, Kirschner A, Cuboni S, Hartmann J, Kozany C, Balsevich G, Namendorf C, Fernandez-Vizarra P, Sippel C, Zannas AS, Draenert R, Binder EB, Almeida OF, Rühter G, Uhr M, Schmidt MV, Touma C, Bracher A, Hausch F. Selective inhibitors of the FK506-binding protein 51 by induced fit. Nat Chem Biol. 2015 Jan;11(1):33-7. doi: 10.1038/nchembio.1699. Epub 2014 Dec 1. PMID: 25436518. 3. Gabani BB, Sulochana SP, Siddesh AHA, Kiran V, Saini NK, Samanta SK, Hallur MS, Rajagopal S, Mullangi R. Validated LC-MS/MS Method for Simultaneous Quantitation of SAFit-1 and SAFit-2 in Mice Plasma: Application to a Pharmacokinetic Study. Drug Res (Stuttg). 2020 Jul;70(7):325-332. doi: 10.1055/a-1164-6123. Epub 2020 May 13. PMID: 32403135.
In vitro protocol: 1. Sidibeh CO, Pereira MJ, Abalo XM, J Boersma G, Skrtic S, Lundkvist P, Katsogiannos P, Hausch F, Castillejo-López C, Eriksson JW. FKBP5 expression in human adipose tissue: potential role in glucose and lipid metabolism, adipogenesis and type 2 diabetes. Endocrine. 2018 Oct;62(1):116-128. doi: 10.1007/s12020-018-1674-5. Epub 2018 Jul 21. PMID: 30032404; PMCID: PMC6153563. 2. Gaali S, Kirschner A, Cuboni S, Hartmann J, Kozany C, Balsevich G, Namendorf C, Fernandez-Vizarra P, Sippel C, Zannas AS, Draenert R, Binder EB, Almeida OF, Rühter G, Uhr M, Schmidt MV, Touma C, Bracher A, Hausch F. Selective inhibitors of the FK506-binding protein 51 by induced fit. Nat Chem Biol. 2015 Jan;11(1):33-7. doi: 10.1038/nchembio.1699. Epub 2014 Dec 1. PMID: 25436518.
In vivo protocol: 1. Gabani BB, Sulochana SP, Siddesh AHA, Kiran V, Saini NK, Samanta SK, Hallur MS, Rajagopal S, Mullangi R. Validated LC-MS/MS Method for Simultaneous Quantitation of SAFit-1 and SAFit-2 in Mice Plasma: Application to a Pharmacokinetic Study. Drug Res (Stuttg). 2020 Jul;70(7):325-332. doi: 10.1055/a-1164-6123. Epub 2020 May 13. PMID: 32403135.

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1: Gaali S, Kirschner A, Cuboni S, Hartmann J, Kozany C, Balsevich G, Namendorf C, Fernandez-Vizarra P, Sippel C, Zannas AS, Draenert R, Binder EB, Almeida OF, Rühter G, Uhr M, Schmidt MV, Touma C, Bracher A, Hausch F. Selective inhibitors of the FK506-binding protein 51 by induced fit. Nat Chem Biol. 2015 Jan;11(1):33-7. doi: 10.1038/nchembio.1699. Epub 2014 Dec 1. PubMed PMID: 25436518.