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Shield-1

CAT: 0013-GTR19154772-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19154772-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Shield-1 is a specific, high-affinity and cell-permeant ligand of FK506-binding protein-12 (FKBP), and reverses the instability by binding to mutated FKBP (mtFKBP), allowing conditional expression of mtFKBP-fused proteins. Shield-1 can stabilize the entire fusion protein.
CAS Number
914805-33-7
Purity
>98% (HPLC)
Solubility
DMSO:250 mg/mL (333.82 mM)
Smiles
O=C ([C@H]1N (C ([C@H] (C2=CC (OC) =C (OC) C (OC) =C2) CC) =O) CCCC1) O[C@@H] (C3=CC=CC (OCCN4CCOCC4) =C3) CCC5=CC=C (OC) C (OC) =C5
Molecular Formula
C42H56N2O10
Molecular Weight
748.9
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Shield-1
CAS Number914805-33-7
PubChem CID44455162
IUPAC Name[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
Molecular FormulaC42H56N2O10
Molecular Weight748.9
XLogP6.4
Topological Polar Surface Area114
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count19
Heavy Atom Count54
Formal Charge0
Complexity1090
SMILES
CC[C@@H](C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OCCN5CCOCC5
InChI
InChI=1S/C42H56N2O10/c1-7-33(31-27-38(49-4)40(51-6)39(28-31)50-5)41(45)44-18-9-8-13-34(44)42(46)54-35(16-14-29-15-17-36(47-2)37(25-29)48-3)30-11-10-12-32(26-30)53-24-21-43-19-22-52-23-20-43/h10-12,15,17,25-28,33-35H,7-9,13-14,16,18-24H2,1-6H3/t33-,34-,35+/m0/s1
InChIKey
NMFHJNAPXOMSRX-PUPDPRJKSA-N
Chemical Structure
2D Structure
2D structure of Shield-1
CAS: 914805-33-7
CID: 44455162
Formula: C42H56N2O10
MW: 748.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight748.9
XLogP36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count19
Exact Mass748.39349599
Monoisotopic Mass748.39349599
Topological Polar Surface Area114 Ų
Heavy Atom Count54
Formal Charge0
Complexity1090
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

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Alternative Products

CatalogName
466066-01Shield 1
T13884-01Shield-1
A19833-50Shield-1 50mg
A19833-25Shield-1 25mg
A19833-10Shield-1 10mg
A19833-5Shield-1 5mg
A19833-500Shield-1 500mg
A19833-100Shield-1 100mg

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