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MedKoo Cat#: 562957 | Name: Shield-2

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Shield-2 is a potent stabilizing ligand for FKBP-derived destabilizing domains.

Chemical Structure

Shield-2
Shield-2
CAS#1013621-70-9

Theoretical Analysis

MedKoo Cat#: 562957

Name: Shield-2

CAS#: 1013621-70-9

Chemical Formula: C35H51N3O7

Exact Mass: 625.3727

Molecular Weight: 625.80

Elemental Analysis: C, 67.17; H, 8.21; N, 6.71; O, 17.90

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Shield-2; Shield 2; Shield2;
IUPAC/Chemical Name
(2S)-1-[[(1-Ethylpropyl)amino]carbonyl]-2-piperidinecarboxylic acid (1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-(4-morpholinyl)ethoxy]phenyl]propyl ester
InChi Key
IIRCDQURVMVUTA-IOWSJCHKSA-N
InChi Code
InChI=1S/C35H51N3O7/c1-5-28(6-2)36-35(40)38-17-8-7-12-30(38)34(39)45-31(15-13-26-14-16-32(41-3)33(24-26)42-4)27-10-9-11-29(25-27)44-23-20-37-18-21-43-22-19-37/h9-11,14,16,24-25,28,30-31H,5-8,12-13,15,17-23H2,1-4H3,(H,36,40)/t30-,31+/m0/s1
SMILES Code
O=C([C@H]1N(C(NC(CC)CC)=O)CCCC1)O[C@@H](C2=CC=CC(OCCN3CCOCC3)=C2)CCC4=CC=C(OC)C(OC)=C4
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 625.80 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Robinson VM, Bharucha DB, Mahaffey KW, Dorian P, Kowey PR; SHIELD-2 Investigators. Results of a curtailed randomized controlled trial, evaluating the efficacy and safety of azimilide in patients with implantable cardioverter-defibrillators: The SHIELD-2 trial. Am Heart J. 2017 Mar;185:43-51. doi: 10.1016/j.ahj.2016.10.025. Epub 2016 Nov 15. PubMed PMID: 28267474. 2: Grimley JS, Chen DA, Banaszynski LA, Wandless TJ. Synthesis and analysis of stabilizing ligands for FKBP-derived destabilizing domains. Bioorg Med Chem Lett. 2008 Jan 15;18(2):759-61. Epub 2007 Nov 17. PubMed PMID: 18039574; PubMed Central PMCID: PMC2245802.