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Chemical structure of SAFit1

GC33699

SAFit1

Also known as 2-[3-[(1R)-1-[(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carbonyl]oxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid

SAFit1 is a FK506 binding protein 51 (FKBP51)-specific inhibitor with a Ki value of 4 ± 0·3nM

ChemicalCAS1643125-32-9MW747.87FormulaC42H53NO11
CAS number
1643125-32-9
Molecular weight
747.87
Formula
C42H53NO11
Solubility
Methanol ： 125 mg/mL (167·14 mM);DMSO ： 62·5 mg/mL (83·57 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
OEQZPFWOEOOISR-AKTKKGGCSA-N
Catalogue number
GC33699
Brand
GLPBIO
Computed properties PubChem CID 86277875 · XLogP 8.2 · TPSA 139 Ų · H-bond donors 1
XLogP
8.2
TPSA
139 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
18
Heavy atoms
54

SMILES COC1=C(C=C(C=C1)CC[C@H](C2=CC(=CC=C2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C4CCCCC4)C5=CC(=C(C(=C5)OC)OC)OC)OC

Computed descriptors from PubChem (CID 86277875), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.