ChemSpider 2D Image | UNC1215 | C32H43N5O2

UNC1215

  • Molecular FormulaC32H43N5O2
  • Average mass529.716 Da
  • Monoisotopic mass529.341675 Da
  • ChemSpider ID28475308

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2-Anilino-1,4-phenylen)bis{[4-(1-pyrrolidinyl)-1-piperidinyl]methanon} [German] [ACD/IUPAC Name]
(2-Anilino-1,4-phenylene)bis{[4-(1-pyrrolidinyl)-1-piperidinyl]methanone} [ACD/IUPAC Name]
(2-Anilino-1,4-phénylène)bis{[4-(1-pyrrolidinyl)-1-pipéridinyl]méthanone} [French] [ACD/IUPAC Name]
[2-Phenylamino-4-(4-pyrrolidin-1-yl-piperidine-1-carbonyl)-phenyl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone
1415800-43-9 [RN]
Methanone, 1,1'-[2-(phenylamino)-1,4-phenylene]bis[1-[4-(1-pyrrolidinyl)-1-piperidinyl]- [ACD/Index Name]
MFCD22683289
N-phenyl-2,5-bis[4-(pyrrolidin-1-yl)piperidine-1-carbonyl]aniline
UNC1215
(2-(phenylamino)-1,4-phenylene)bis((4-(pyrrolidin-1-yl)piperidin-1-yl)methanone)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      This probe is supplied in conjunction with the Structural Genomics Consortium. For further characterization details, please visit the UNC 1215 probe summary on the SGC website. Tocris Bioscience 4666

    • Target Organs:

      Epigenetic Reader Domain antagonist TargetMol T2379

    • Bio Activity:

      Cell Biology Tocris Bioscience 4666
      Cell Cycle/DNA Damage MedChem Express HY-15649
      Cell Cycle/DNA Damage; MedChem Express HY-15649
      Chromatin/Epigenetic TargetMol T2379
      Epigenetics Tocris Bioscience 4666
      HMTase MedChem Express HY-15649
      L3MBTL3; TargetMol T2379
      MBT Domains Tocris Bioscience 4666
      Potent inhibitor of L3MBTL3 Kme reader domain; cell permeable Tocris Bioscience 4666
      Potent inhibitor of L3MBTL3 methyllysine (Kme) reader domain (IC50 = 40 nM; Kd = 120 nM). Displays >100-fold selectivity over a panel of histone methyltransferases, kinases, ion channels and 7-TM rece ptors. Disrupts subnuclear localization and foci formation of fluorescently-labeled L3MBTL3 in HEK293 cells. Tocris Bioscience 4666
      Potent inhibitor of L3MBTL3 methyllysine (Kme) reader domain (IC50 = 40 nM; Kd = 120 nM). Displays >100-fold selectivity over a panel of histone methyltransferases, kinases, ion channels and 7-TM receptors. Disrupts subnuclear localization and foci formation of fluorescently-labeled L3MBTL3 in HEK293 cells. Tocris Bioscience 4666
      UNC1215 is a potent and selective chemical probe for the methyllysine (Kme) reading function of L3MBTL3 with Kd value of 120 nM. MedChem Express
      UNC1215 is a potent and selective chemical probe for the methyllysine (Kme) reading function of L3MBTL3 with Kd value of 120 nM.; IC50 Value: 120 nM (Kd) [1]; Target: L3MBTL3 ; In vitro: UNC1215 binds L3MBTL3 with a K(d) of 120 nM, competitively displacing mono- or dimethyllysine-containing peptides, and is greater than 50-fold more potent toward L3MBTL3 than other members of the MBT family while also demonstrating selectivity against more than 200 other reader domains examined. MedChem Express HY-15649
      UNC1215 is a potent and selective chemical probe for the methyllysine (Kme) reading function of L3MBTL3 with Kd value of 120 nM.;IC50 Value: 120 nM (Kd) [1];Target: L3MBTL3 ;In vitro: UNC1215 binds L3MBTL3 with a K(d) of 120 nM, competitively displacing mono- or dimethyllysine-containing peptides, and is greater than 50-fold more potent toward L3MBTL3 than other members of the MBT family while also demonstrating selectivity against more than 200 other reader domains examined. X-ray crystallography identified a unique 2:2 polyvalent mode of interaction between UNC1215 and L3MBTL3. In cells, UNC1215 is nontoxic and directly binds L3MBTL3 via the Kme-binding pocket of the MBT domains. UNC1215 increases the cellular mobility of GFP-L3MBTL3 fusion proteins, and point mutants that disrupt the Kme-binding function of GFP-L3MBTL3 phenocopy the effects of UNC1215 on localization [1]. MedChem Express HY-15649

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 712.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.5±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 155.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.37
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 59 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 432.5±3.0 cm3

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