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BRM/BRG1 ligand 2

CAT: 0013-GTR19240400-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240400-01Size:10 mg
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Description
This compound is a ligand designed to target BRM/BRG1 proteins for the synthesis of PROTAC degraders. It serves as a key component in chemical probes for studying chromatin remodeling in cancer research, applicable in both cellular and biochemical assays.
CAS Number
2933125-88-1
Field of Research
Epigenetics & Chromatin, Neuroscience; Epigenetics & Chromatin, Pharmacology & Drug Discovery
Smiles
OC=1C=CC=CC1C=2N=NC=3C (=NN (C3C2) C4CCNCC4) N
Molecular Formula
C16H18N6O
Molecular Weight
310.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(3-Amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol
CAS Number2933125-88-1
PubChem CID168896729
IUPAC Name2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol
Molecular FormulaC16H18N6O
Molecular Weight310.35
XLogP0.6
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity404
SMILES
C1CNCCC1N2C3=CC(=NN=C3C(=N2)N)C4=CC=CC=C4O
InChI
InChI=1S/C16H18N6O/c17-16-15-13(22(21-16)10-5-7-18-8-6-10)9-12(19-20-15)11-3-1-2-4-14(11)23/h1-4,9-10,18,23H,5-8H2,(H2,17,21)
InChIKey
AQZDZOUJCAQWSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol
CAS: 2933125-88-1
CID: 168896729
Formula: C16H18N6O
MW: 310.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight310.35
XLogP30.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass310.15420922
Monoisotopic Mass310.15420922
Topological Polar Surface Area102 Ų
Heavy Atom Count23
Formal Charge0
Complexity404
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