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BCL6-IN-4

CAT: 0804-HY-136640-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-136640-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BCL6-IN-4 is a potent B-cell lymphoma 6 (BCL6) inhibitor with an IC50 of 97 nM. BCL6-IN-4 has anti-tumor activities[1].
CAS Number
2253879-65-9
UNSPSC
12352005
Target
Bcl-2 Family
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/bcl6-in-4.html
Concentration
10mM
Purity
99.72
Solubility
DMSO : 73.33 mg/mL (ultrasonic)
Smiles
O=C1N(CCC(C)(O)C)C2=CC(NC3=NC(N4CC(C)(C)OC(C)(C)C4)=NC=C3Cl)=CC=C2N1C
Molecular Formula
C25H35ClN6O3
Molecular Weight
503.04
References & Citations
[1]Benjamin R Bellenie, et al. Achieving In Vivo Target Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J Med Chem. 2020 Apr 23;63 (8) :4047-4068.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Bcl6-IN-4
CAS Number2253879-65-9
PubChem CID135386972
IUPAC Name5-[[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-3-(3-hydroxy-3-methylbutyl)-1-methylbenzimidazol-2-one
Molecular FormulaC25H35ClN6O3
Molecular Weight503.0
XLogP3.3
Topological Polar Surface Area94.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity764
SMILES
CC1(CN(CC(O1)(C)C)C2=NC=C(C(=N2)NC3=CC4=C(C=C3)N(C(=O)N4CCC(C)(C)O)C)Cl)C
InChI
InChI=1S/C25H35ClN6O3/c1-23(2,34)10-11-32-19-12-16(8-9-18(19)30(7)22(32)33)28-20-17(26)13-27-21(29-20)31-14-24(3,4)35-25(5,6)15-31/h8-9,12-13,34H,10-11,14-15H2,1-7H3,(H,27,28,29)
InChIKey
BGCPLWWYPZAURQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bcl6-IN-4
CAS: 2253879-65-9
CID: 135386972
Formula: C25H35ClN6O3
MW: 503.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.0
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass502.2459167
Monoisotopic Mass502.2459167
Topological Polar Surface Area94.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity764
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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