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SMARCA2-IN-2

CAT: 0013-GTR19239038-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239038-02Size:50 mg
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Description
SMARCA2-IN-2 (Compound I-25) is a small molecule inhibitor of the SMARCA2 (BRM) ATPase, exhibiting inhibitory activity in the 101-500 μM IC50 range. It serves as a chemical probe for investigating SMARCA2-dependent transcriptional regulation in cancer biology research, with utility in both in vitro and cellular mechanistic studies.
CAS Number
2568055-24-1
Field of Research
Epigenetics & Chromatin, Neuroscience
Smiles
C (#CC1CCNCC1) C2=C (N=CC3=CC=CC=C23) N
Molecular Formula
C16H17N3
Molecular Weight
251.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Smarca2-IN-2
CAS Number2568055-24-1
PubChem CID155391064
IUPAC Name4-(2-piperidin-4-ylethynyl)isoquinolin-3-amine
Molecular FormulaC16H17N3
Molecular Weight251.33
XLogP2.3
Topological Polar Surface Area50.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity361
SMILES
C1CNCCC1C#CC2=C(N=CC3=CC=CC=C32)N
InChI
InChI=1S/C16H17N3/c17-16-15(6-5-12-7-9-18-10-8-12)14-4-2-1-3-13(14)11-19-16/h1-4,11-12,18H,7-10H2,(H2,17,19)
InChIKey
OGKAGVJWOIJXAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Smarca2-IN-2
CAS: 2568055-24-1
CID: 155391064
Formula: C16H17N3
MW: 251.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.33
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass251.142247555
Monoisotopic Mass251.142247555
Topological Polar Surface Area50.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity361
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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HY-161881SMARCA2-IN-9
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