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Shield-1

CAT: 0804-HY-112210-06Size: 50 mgDry Ice: YesHazardous: No
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CAT#:0804-HY-112210-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Shield-1 (Shld1) is a specific, cell-permeant and high-affinity 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 proteins tagged with a mutated FKBP12-derived destabilization domain (DD) [1][2][3].
CAS Number
914805-33-7
Product Name Alternative
Shld1
UNSPSC
12352005
Target
FKBP
Type
Reference compound
Related Pathways
Apoptosis; Autophagy; Cell Cycle/DNA Damage; Immunology/Inflammation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/shield-1.html
Purity
99.73
Solubility
DMSO : 67.5 mg/mL (ultrasonic; warming; heat to 60°C)
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
748.90
References & Citations
[1]Schoeber JP, et al. Conditional fast expression and function of multimeric TRPV5 channels using Shield-1. Am J Physiol Renal Physiol. 2009 Jan;296 (1) :F204-11.|[2]Li S, et al. Effects of Shield1 on the viral replication of varicella zoster virus containing FKBP tagged ORF4and 48. Mol Med Rep. 2018 Jan;17 (1) :763-770.|[3]Laura A Banaszynski, et al. A rapid, reversible, and tunable method to regulate protein function in living cells using synthetic small molecules. Cell. 2006 Sep 8;126 (5) :995-1004.
Shipping Conditions
Dry Ice
Storage Conditions
-80°C, stored under nitrogen
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
FKBP12

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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