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BCL6-IN-7

CAT: 0804-HY-115532-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-115532-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BCL6-IN-7 is a potent BCL6−corepressor interaction inhibitor[1].
CAS Number
2097518-46-0
Product Name Alternative
PQQ-13C3 (sodium); Methoxatin-13C3 (sodium), N-Docosahexaenoyl ethanolamine (DHEA); Docosahexaenoyl ethanolamide
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Bcl-2 Family
Type
Reference compound
Related Pathways
Apoptosis
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/bcl6-in-7.html
Purity
99.79
Solubility
DMSO : 5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C1NC2=C(C=C(NC3=NC(NCC4=CC=CN=C4)=NC=C3Cl)C=C2)C1
Molecular Formula
C18H15ClN6O
Molecular Weight
366.80
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Kamada Y, et al. Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach. J Med Chem. 2017 May 25;60 (10) :4358-4368.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Bcl6-IN-7
CAS Number2097518-46-0
PubChem CID137348674
IUPAC Name5-[[5-chloro-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one
Molecular FormulaC18H15ClN6O
Molecular Weight366.8
XLogP2.3
Topological Polar Surface Area91.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity494
SMILES
C1C2=C(C=CC(=C2)NC3=NC(=NC=C3Cl)NCC4=CN=CC=C4)NC1=O
InChI
InChI=1S/C18H15ClN6O/c19-14-10-22-18(21-9-11-2-1-5-20-8-11)25-17(14)23-13-3-4-15-12(6-13)7-16(26)24-15/h1-6,8,10H,7,9H2,(H,24,26)(H2,21,22,23,25)
InChIKey
MUSYPBPUEKXCSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bcl6-IN-7
CAS: 2097518-46-0
CID: 137348674
Formula: C18H15ClN6O
MW: 366.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.8
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass366.0995868
Monoisotopic Mass366.0995868
Topological Polar Surface Area91.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity494
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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