Home Page Flashcards Venetoclax C45H50ClN7O7S structure - Flashcards

Venetoclax C45H50ClN7O7S structure – Flashcards

Flashcard maker : Anna Collins

Contents

Experimental Solubility:
Safety:
Target Organs:
Bio Activity:

Molecular Formula	C₄₅H₅₀ClN₇O₇S
Average mass	868.439 Da
Density	1.3±0.1 g/cm³
Boiling Point
Flash Point
Molar Refractivity	234.4±0.4 cm³
Polarizability	92.9±0.5 10^-24cm³
Surface Tension	59.3±3.0 dyne/cm
Molar Volume	647.7±3.0 cm³

Experimental data
Predicted – ACD/Labs
Predicted – ChemAxon

Experimental Physico-chemical Properties
- Experimental Solubility:
  
  10mM in DMSO MedChem Express http://www.medchemexpress.com/LX-4211.html
  
  10Mm in DMSO MedChem Express HY-15531
  
  Soluble in DMSO Axon Medchem 2141

Miscellaneous

Safety:

5 Axon Medchem 2141

H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2141

no pictogram Axon Medchem 2141

P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2141

Warning Axon Medchem 2141

Target Organs:

Bcl-2 inhibitor TargetMol T2119

Bio Activity:

ABT-199 (GDC-0199) is a Bcl-2-selective inhibitor with Ki of <0.01 nM, MedChem Express http://www.medchemexpress.com/LX-4211.html

ABT-199 (GDC-0199) is a Bcl-2-selective inhibitor with Ki of <0.01 nM, >4800-fold more selective versus Bcl-xL and Bcl-w, and no activity to Mcl-1. MedChem Express HY-15531

ABT-199 (GDC-0199) is a Bcl-2-selective inhibitor with Ki of <0.01 nM, >4800-fold more selective versus Bcl-xL and Bcl-w, and no activity to Mcl-1. ;IC50 Value: <0.01 nM (Ki);Target: Bcl-2 selectiveABT-199 is a potent and selective inhibitor of B-cell lymphoma-2 (BCL-2) family proteins, currently in clinical trials. ABT-199 inhibits the growth of BCL-2-dependent tumors in vivo and spares human platelets. A single dose of ABT-199 in three patients with refractory chronic lymphocytic leukemia resulted in tumor lysis within 24 h. These data indicate that selective pharmacological inhibition of BCL-2 shows promise for the treatment of BCL-2-dependent hematological cancers. MedChem Express HY-15531

Apoptosis MedChem Express HY-15531

Apoptosis TargetMol T2119

Apoptosis; MedChem Express HY-15531

Bcl-2 TargetMol T2119

Bcl-2 Family MedChem Express HY-15531

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density:	1.3±0.1 g/cm³
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:	1.644
Molar Refractivity:	234.4±0.4 cm³
#H bond acceptors:	14
#H bond donors:	3
#Freely Rotating Bonds:	13
#Rule of 5 Violations:	3

ACD/LogP:	10.88
ACD/LogD (pH 5.5):	6.54
ACD/BCF (pH 5.5):	18890.57
ACD/KOC (pH 5.5):	11232.56
ACD/LogD (pH 7.4):	6.49
ACD/BCF (pH 7.4):	16901.80
ACD/KOC (pH 7.4):	10050.02
Polar Surface Area:	183 Å²
Polarizability:	92.9±0.5 10^-24cm³
Surface Tension:	59.3±3.0 dyne/cm
Molar Volume:	647.7±3.0 cm³

Click to predict properties on the Chemicalize site

Venetoclax C45H50ClN7O7S structure – Flashcards

Experimental Solubility:

Safety:

Target Organs:

Bio Activity:

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