WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 562643
CAS#: 1643125-33-0
Description: SAFit2 is a selective inhibitor of the FK506-binding protein 51 (FKBP51).
MedKoo Cat#: 562643
Name: SAFit2
CAS#: 1643125-33-0
Chemical Formula: C46H62N2O10
Exact Mass: 802.4404
Molecular Weight: 803.0
Elemental Analysis: C, 68.80; H, 7.78; N, 3.49; O, 19.92
Synonym: SAFit2; SAF it 2; SA Fit 2; SAF-it-2; SA-Fit-2;
IUPAC/Chemical Name: (S)-((R)-3-(3,4-Dimethoxyphenyl)-1-(3-(2-morpholinoethoxy)phenyl)propyl) 1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxylate
InChi Key: ZDBWLRLGUBSLPG-FDHYQTMZSA-N
InChi Code: InChI=1S/C46H62N2O10/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/h11,14-15,18,20,28-31,33,37-38,43H,6-10,12-13,16-17,19,21-27H2,1-5H3/t37-,38+,43-/m0/s1
SMILES Code: O=C([C@H]1N(C([C@@H](C2CCCCC2)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: >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
The following data is based on the product molecular weight 803.0 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: Maiarù M, Morgan OB, Mao T, Breitsamer M, Bamber H, Pöhlmann M, Schmidt MV, Winter G, Hausch F, Géranton SM. The Stress Regulator Fkbp51: A Novel and Promising Druggable Target for the Treatment of Persistent Pain States Across Sexes. Pain. 2018 Mar 12. doi: 10.1097/j.pain.0000000000001204. [Epub ahead of print] PubMed PMID: 29533388.
2: Balsevich G, Häusl AS, Meyer CW, Karamihalev S, Feng X, Pöhlmann ML, Dournes C, Uribe-Marino A, Santarelli S, Labermaier C, Hafner K, Mao T, Breitsamer M, Theodoropoulou M, Namendorf C, Uhr M, Paez-Pereda M, Winter G, Hausch F, Chen A, Tschöp MH, Rein T, Gassen NC, Schmidt MV. Stress-responsive FKBP51 regulates AKT2-AS160 signaling and metabolic function. Nat Commun. 2017 Nov 23;8(1):1725. doi: 10.1038/s41467-017-01783-y. PubMed PMID: 29170369; PubMed Central PMCID: PMC5700978.
3: Maiarù M, Tochiki KK, Cox MB, Annan LV, Bell CG, Feng X, Hausch F, Géranton SM. The stress regulator FKBP51 drives chronic pain by modulating spinal glucocorticoid signaling. Sci Transl Med. 2016 Feb 10;8(325):325ra19. doi: 10.1126/scitranslmed.aab3376. PubMed PMID: 26865567; PubMed Central PMCID: PMC4880036.
4: Hartmann J, Wagner KV, Gaali S, Kirschner A, Kozany C, Rühter G, Dedic N, Häusl AS, Hoeijmakers L, Westerholz S, Namendorf C, Gerlach T, Uhr M, Chen A, Deussing JM, Holsboer F, Hausch F, Schmidt MV. Pharmacological Inhibition of the Psychiatric Risk Factor FKBP51 Has Anxiolytic Properties. J Neurosci. 2015 Jun 17;35(24):9007-16. doi: 10.1523/JNEUROSCI.4024-14.2015. PubMed PMID: 26085626.
5: Feng X, Pomplun S, Hausch F. Recent Progress in FKBP Ligand Development. Curr Mol Pharmacol. 2015;9(1):27-36. Review. PubMed PMID: 25986570.
6: 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.
