ST 271 - 10mM in DMSO , CAS No.106392-48-7

CAS: 106392-48-7 Cat. No.: S420501 Formula: C₁₆H₂₀N₂O₂ Molecular Weight: 272.34 PubChem CID: 6439072

GRADE & PURITY 10mM in DMSO

Synonyms

ST 271 | ST-271; ST 271 | HY-103097 | 2-Propenamide, 2-cyano-3-(4-hydroxy-3,5-bis(1-methylethyl)phenyl)- | BCP20728 | BS-14310 | BDBM50292512 | s6522 | N17086 | AKOS037515601 | (E)-2-CYANO-3-(4-HYDROXY-3,5-DIISOPROPYLPHENYL)ACRYLAMIDE | 2-cyano-3-(4-hydro

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

ST 271 ST271 is a tyrphostin-like protein tyrosine kinase (PTK) inhibitor which inhibits phospholipase D (PLD) activity.

Targets

PLD

Specifications

Synonyms

ST 271 | ST-271; ST 271 | HY-103097 | 2-Propenamide, 2-cyano-3-(4-hydroxy-3,5-bis(1-methylethyl)phenyl)- | BCP20728 | BS-14310 | BDBM50292512 | s6522 | N17086 | AKOS037515601 | (E)-2-CYANO-3-(4-HYDROXY-3,5-DIISOPROPYLPHENYL)ACRYLAMIDE | 2-cyano-3-(4-hydro

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

ST271 is a tyrphostin-like protein tyrosine kinase (PTK) inhibitor which inhibits phospholipase D (PLD) activity.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

• ALogP: 3.285
• HBD Count: 2
• Rotatable Bond: 4

Names and Identifiers

• Canonical Smiles: CC(C)C1=CC(=CC(=C1O)C(C)C)C=C(C#N)C(=O)N
• IUPAC Name: (E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide
• InChIKey: HMLQHJRJKQDTKW-LFYBBSHMSA-N
• INCHI: 1S/C16H20N2O2/c1-9(2)13-6-11(5-12(8-17)16(18)20)7-14(10(3)4)15(13)19/h5-7,9-10,19H,1-4H3,(H2,18,20)/b12-5+
• Isomeric SMILES: CC(C)C1=CC(=CC(=C1O)C(C)C)/C=C(\C#N)/C(=O)N
• PubChem CID: 6439072
• Molecular Weight: 272.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumaric acids and derivatives
• Alternative Parents: Cinnamic acid amides Phenylpropanes Cumenes Phenols Primary carboxylic acid amides Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid amide - Coumaric acid or derivatives - Cumene - Phenylpropane - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Primary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
• 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

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 54
• DMSO(mM) Max Solubility: 198.281559814937
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 272.340 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 272.152 Da
• Monoisotopic Mass: 272.152 Da
• Topological Polar Surface Area: 87.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 413.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 106392-48-7, the molecular formula is C16H20N2O2, and the molecular weight is 272.34 g/mol. InChIKey HMLQHJRJKQDTKW-LFYBBSHMSA-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.