Shield-1 , CAS No.914805-33-7

CAS: 914805-33-7 Cat. No.: S412964 Summenformel: C₄₂H₅₆N₂O₁₀ Molekulargewicht: 748.9 PubChem CID: 44455162

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

Shield-1 is a specific, cell-permeant and high-affinity ligand of FK506-binding protein-12 (FKBP). Shield-1 reverses the instability by binding to mutated FKBP (mtFKBP), allowing conditional expression of mtFKBP-fused proteins. Shield-1 stabilizes the entire fusion protein.

Specifications

Biochemische und physiologische Mechanismen

Shield-1 is a specific, cell-permeant and high-affinity ligand of FK506-binding protein-12 (FKBP). Shield-1 reverses the instability by binding to mutated FKBP (mtFKBP), allowing conditional expression of mtFKBP-fused proteins. Shield-1 stabilizes the ent

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Kanonisches Lächeln: CCC(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCCC2C(=O)OC(CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OCCN5CCOCC5
• 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
• InChIKey: NMFHJNAPXOMSRX-PUPDPRJKSA-N
• 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
• Isomere 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
• PubChem CID: 44455162
• Molekulargewicht: 748.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Linear 1,3-diarylpropanoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Linear 1,3-diarylpropanoids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Linear 1,3-diarylpropanoids
• Alternative Parents: Alpha amino acid esters Phenylacetamides Benzyloxycarbonyls Dimethoxybenzenes Piperidinecarboxylic acids Phenylpropanes N-acylpiperidines Phenoxy compounds Anisoles Alkyl aryl ethers Morpholines Tertiary carboxylic acid amides Trialkylamines Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Linear 1,3-diarylpropanoid - Alpha-amino acid ester - Alpha-amino acid or derivatives - Benzyloxycarbonyl - O-dimethoxybenzene - Dimethoxybenzene - Phenylacetamide - Phenylpropane - Piperidinecarboxylic acid - N-acyl-piperidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Oxazinane - Piperidine - Benzenoid - Morpholine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 748.900 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 19
• Exact Mass: 748.393 Da
• Monoisotopic Mass: 748.393 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1090.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 914805-33-7, the molecular formula is C42H56N2O10, and the molecular weight is 748.9 g/mol. InChIKey NMFHJNAPXOMSRX-PUPDPRJKSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.