SAFit2

CAT: 0931-T16836-03Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T16836-03Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1643125-33-0

Target

FKBP

Related Pathways

Autophagy, Immunology/Inflammation, Apoptosis

Purity

>99.99%

Bioactivity

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.

Smiles

COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC

Molecular Formula

C46H62N2O10

Molecular Weight

802.99

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

SAFit2

CAS Number	1643125-33-0
PubChem CID	86277887
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 Formula	C46H62N2O10
Molecular Weight	803.0
XLogP	8.2
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	19
Heavy Atom Count	58
Formal Charge	0
Complexity	1200

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

CAS: 1643125-33-0

CID: 86277887

Formula: C46H62N2O10

MW: 803.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	803.0
XLogP3	8.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	19
Exact Mass	802.44044618
Monoisotopic Mass	802.44044618
Topological Polar Surface Area	114 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1200
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T16835-01	SAFit1

Alternative Products

Catalog	Name
BA3431-10	SAFit2
A17104-100	SAFit2 100mg
465810-01	SAFit2 discontinued
A17104-5	SAFit2 5mg
A17104-50	SAFit2 50mg
A17104-2	SAFit2 2mg
A17104-25	SAFit2 25mg
A17104-10	SAFit2 10mg
A17104-1	SAFit2 1mg

SAFit2

Chemical Information

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