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 Summenformel: C₁₉H₂₃O₁₀PS Molekulargewicht: 474.42 PubChem CID: 11248490

QUALITÄT & REINHEIT ≥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

Übersicht

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) .

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

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

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

Mechanismus der Wirkung

G1/S-specific cyclin D1 inhibitor

Reinheit

≥99%

Produkteigenschaften

ALogP

2.319

Rotationsfähige Bindung

10

Namen und Kennungen

Pubchem Sid

504766206

Pubchem Sid Url

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

Kanonisches Lächeln

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+

Isomere 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

Molekulargewicht

474.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Ebene5 Aryl phosphates
          • Ebene6 Aryl phosphomonoesters
            • Ebene7 Phenyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 95 mg/mL (200.24 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/ml) Maximale Löslichkeit: 95
• DMSO (mM) Maximale Löslichkeit: 200.244509084777
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 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