SLF TFA

CAT: 0931-T73817-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T73817-01Size:5 mg

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

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CAS Number

2378802-47-0

Target

Ligands for Target Protein for PROTAC, Others, FKBP

Related Pathways

Apoptosis, Immunology/Inflammation, Autophagy, PROTAC, Others

Bioactivity

SLF TFA, a synthetic ligand for FK506-binding protein (FKBP), exhibits affinity toward FKBP51 with a value of 3.1 μM and demonstrates an IC50 of 2.6 μM for FKBP12. This compound is utilized in the synthesis of PROTAC [1] [2] [3].

Smiles

C(C(O)=O)(F)(F)F.C(C(C(CC)(C)C)=O)(=O)N1[C@H](C(O[C@H](CCC2=CC(OC)=C(OC)C=C2)C3=CC(N)=CC=C3)=O)CCCC1

Molecular Formula

C32H41F3N2O8

Molecular Weight

638.67

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Slf tfa

CAS Number	2378802-47-0
PubChem CID	155981980
IUPAC Name	[(1R)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate;2,2,2-trifluoroacetic acid
Molecular Formula	C32H41F3N2O8
Molecular Weight	638.7
Topological Polar Surface Area	145
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	12
Heavy Atom Count	45
Formal Charge	0
Complexity	885

SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C30H40N2O6.C2HF3O2/c1-6-30(2,3)27(33)28(34)32-17-8-7-12-23(32)29(35)38-24(21-10-9-11-22(31)19-21)15-13-20-14-16-25(36-4)26(18-20)37-5;3-2(4,5)1(6)7/h9-11,14,16,18-19,23-24H,6-8,12-13,15,17,31H2,1-5H3;(H,6,7)/t23-,24+;/m0./s1

InChIKey

HKRBJXCFMLSYKV-KZDWWKKTSA-N

Chemical Structure

2D Structure

CAS: 2378802-47-0

CID: 155981980

Formula: C32H41F3N2O8

MW: 638.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	638.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	12
Exact Mass	638.28150076
Monoisotopic Mass	638.28150076
Topological Polar Surface Area	145 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	885
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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SLF TFA

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