HBDDE - ≥97% , CAS No.154675-18-0

CAS: 154675-18-0 Cat. No.: H275628 Molecular Weight: 338.3

GRADE & PURITY ≥97%

Synonyms

6,6'-Bis(methoxymethyl)[1,1'-biphenyl]-2,2',3,3',4,4'-hexol | KBio3_000850 | SCHEMBL1272421 | Bio2_000868 | HMS1792G17 | KBio2_003023 | IDI1_002143 | J-009130 | KBio2_000455 | KBioSS_000455 | HBDDE - CAS 154675-18-0 | BiomolKI_000067 | Hhbpdde | HMS3403G1

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

6, 6'-Bis(methoxymethyl)[1, 1'-biphenyl]-2, 2', 3, 3', 4, 4'-hexol | KBio3_000850 | SCHEMBL1272421 | Bio2_000868 | HMS1792G17 | KBio2_003023 | IDI1_002143 | J-009130 | KBio2_000455 | KBioSS_000455 | HBDDE - CAS 154675-18-0 | BiomolKI_000067 | Hhbpdde | HMS3403G1

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

PKCα and PKCγ inhibitor (IC 50 values are 43 and 50 μM respectively). δ, βI and βII isotypes are not affected. Inducer of apoptosis. Active in vivo .

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Action Type

ACTIVATOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COCC1=CC(=C(C(=C1C2=C(C(=C(C=C2COC)O)O)O)O)O)O
• IUPAC Name: 5-(methoxymethyl)-4-[2,3,4-trihydroxy-6-(methoxymethyl)phenyl]benzene-1,2,3-triol
• InChIKey: NEBCAMAQXZIVRE-UHFFFAOYSA-N
• INCHI: 1S/C16H18O8/c1-23-5-7-3-9(17)13(19)15(21)11(7)12-8(6-24-2)4-10(18)14(20)16(12)22/h3-4,17-22H,5-6H2,1-2H3
• Isomeric SMILES: COCC1=CC(=C(C(=C1C2=C(C(=C(C=C2COC)O)O)O)O)O)O
• Molecular Weight: 338.3
• Reaxy-Rn: 6664622
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6664622&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Tannins
      • Subclass Hydrolyzable tannins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Tannins
• Subclass: Hydrolyzable tannins
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrolyzable tannins
• Alternative Parents: Biphenols Biphenyls and derivatives Pyrogallols and derivatives Benzylethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Polyols Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydrolyzable tannin - Biphenol - Biphenyl - Benzenetriol - Benzylether - Pyrogallol derivative - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Dialkyl ether - Polyol - Ether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
• 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

• Solubility: Soluble in DMSO to 50 mM and in ethanol to 25 mM (with warming)
• Molecular Weight: 338.310 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 338.1 Da
• Monoisotopic Mass: 338.1 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 358.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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