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SAFit2

CAT: 1410-M33490-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M33490-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SAFit2 is a highly potent and selective inhibitor of fk506 binding protein 51 (FKBP51) with a Ki value of 6 nM. SAFit2 can enhance the binding of AKT2-AS160 and participate in the downstream response of glucocorticoid release in vivo. It is a candidate compound for the treatment of obesity, chronic pain, depression and anxiety.
CAS Number
1643125-33-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
802.99
Molecular Formula
C46H62N2O10
Notes
Research use only, not for human use.
Receptor
FKBP

Chemical Information

SAFit2
CAS Number1643125-33-0
PubChem CID86277887
IUPAC Name[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
Molecular FormulaC46H62N2O10
Molecular Weight803.0
XLogP8.2
Topological Polar Surface Area114
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count19
Heavy Atom Count58
Formal Charge0
Complexity1200
SMILES
COC1=C(C=C(C=C1)CC[C@H](C2=CC(=CC=C2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H](C5CCCCC5)C6=CC(=C(C(=C6)OC)OC)OC)OC
InChI
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
InChIKey
ZDBWLRLGUBSLPG-FDHYQTMZSA-N
Chemical Structure
2D Structure
2D structure of SAFit2
CAS: 1643125-33-0
CID: 86277887
Formula: C46H62N2O10
MW: 803.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight803.0
XLogP38.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count19
Exact Mass802.44044618
Monoisotopic Mass802.44044618
Topological Polar Surface Area114 Ų
Heavy Atom Count58
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C14569-25mgSAFit2
465810-01SAFit2 discontinued
A17104-5SAFit2 5mg
A17104-100SAFit2 100mg
A17104-50SAFit2 50mg
A17104-2SAFit2 2mg
A17104-25SAFit2 25mg
A17104-10SAFit2 10mg
A17104-1SAFit2 1mg

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