Briciclib - ≥99% , G1/S-specific cyclin D1 inhibitor, CAS No.865783-99-9, G1/S-specific cyclin D1 inhibitor

CAS: 865783-99-9 Cat. No.: B413506 Formula: C₁₉H₂₃O₁₀PS Molecular Weight: 474.42 PubChem CID: 11248490

GRADE & PURITY ≥99%

Synonyms

AC-36098 | s6533 | 2-Methoxy-5-(((2-(2,4,6-trimethoxyphenyl)ethenyl)sulfonyl)methyl)phenyl dihydrogen phosphate | Briciclib (USAN/INN) | ON 014185 | SCHEMBL119455 | (E)-5-(((2,4,6-TRIMETHOXYSTYRYL)SULFONYL)METHYL)-2-METHOXYPHENYL DIHYDROGEN PHOSPHATE | SC

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Briciclib Briciclib (ON-014185) is a water soluble derivative of ON-013100, a small molecule that binds to and inhibits eukaryotic translation initiation factor 4E (eIF4E) .

Specifications

Synonyms

AC-36098 | s6533 | 2-Methoxy-5-(((2-(2,4,6-trimethoxyphenyl)ethenyl)sulfonyl)methyl)phenyl dihydrogen phosphate | Briciclib (USAN/INN) | ON 014185 | SCHEMBL119455 | (E)-5-(((2,4,6-TRIMETHOXYSTYRYL)SULFONYL)METHYL)-2-METHOXYPHENYL DIHYDROGEN PHOSPHATE | SC

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Briciclib (ON-014185) is a water soluble derivative of ON-013100, a small molecule that binds to and inhibits eukaryotic translation initiation factor 4E (eIF4E).

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Mechanism of action

G1/S-specific cyclin D1 inhibitor

Purity

≥99%

Product Properties

ALogP

2.319

Rotatable Bond

10

Names and Identifiers

Pubchem Sid

504766206

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766206

Canonical Smiles

COC1=C(C=C(C=C1)CS(=O)(=O)C=CC2=C(C=C(C=C2OC)OC)OC)OP(=O)(O)O

IUPAC Name

[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] dihydrogen phosphate

InChIKey

LXENKEWVEVKKGV-BQYQJAHWSA-N

INCHI

1S/C19H23O10PS/c1-25-14-10-17(27-3)15(18(11-14)28-4)7-8-31(23,24)12-13-5-6-16(26-2)19(9-13)29-30(20,21)22/h5-11H,12H2,1-4H3,(H2,20,21,22)/b8-7+

Isomeric SMILES

COC1=C(C=C(C=C1)CS(=O)(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)OP(=O)(O)O

PubChem CID

11248490

Molecular Weight

474.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphomonoesters
            • Level7 Phenyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Aryl phosphates - Aryl phosphomonoesters
• Direct Parent: Phenyl phosphates
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Sulfones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl phosphate - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Sulfone - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl phosphates. These are aromatic organooxygen compounds containing a phosphate group, which is O-esterified with a phenyl group.
• 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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 95 mg/mL (200.24 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO(mg / mL) Max Solubility: 95
• DMSO(mM) Max Solubility: 200.244509084777
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 474.400 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 474.075 Da
• Monoisotopic Mass: 474.075 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 716.000
• 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