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SMARCA2/4-IN-1

CAT: 0804-HY-161884Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-161884Size:1 Each
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Description
SMARCA2/4-IN-1 (compound 1) is a potent SMARCA2 inhibitor with IC50 values of 3.8, 1.7 µM for SMARCA2, SMARCA4, respectively[1].
CAS Number
76947-79-0
UNSPSC
12352005
Target
Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Epigenetics
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/smarca2-4-in-1.html
Smiles
O=C(NC1=NC=CC=C1)NC2=CC(Cl)=NC=C2
Molecular Formula
C11H9ClN4O
Molecular Weight
248.67
References & Citations
[1]Papillon JPN, et al. Discovery of Orally Active Inhibitors of Brahma Homolog (BRM) /SMARCA2 ATPase Activity for the Treatment of Brahma Related Gene 1 (BRG1) /SMARCA4-Mutant Cancers. J Med Chem. 2018 Nov 21;61 (22) :10155-10172.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Smarca2/4-IN-1
CAS Number76947-79-0
PubChem CID134114171
IUPAC Name1-(2-chloro-4-pyridinyl)-3-pyridin-2-ylurea
Molecular FormulaC11H9ClN4O
Molecular Weight248.67
XLogP1.6
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity264
SMILES
C1=CC=NC(=C1)NC(=O)NC2=CC(=NC=C2)Cl
InChI
InChI=1S/C11H9ClN4O/c12-9-7-8(4-6-13-9)15-11(17)16-10-3-1-2-5-14-10/h1-7H,(H2,13,14,15,16,17)
InChIKey
VPYIBVZWTOMGGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Smarca2/4-IN-1
CAS: 76947-79-0
CID: 134114171
Formula: C11H9ClN4O
MW: 248.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.67
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass248.0464886
Monoisotopic Mass248.0464886
Topological Polar Surface Area66.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity264
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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CatalogName
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HY-172446SMARCA2/4-ligand-5
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Alternative Products

CatalogName
GTR19237805-01SMARCA2/4-IN-1
T89330-01SMARCA2/4-ligand-1
T89236-01SMARCA2-IN-4
GTR19275103-01SMARCA2/4 degrader-1
GTR19238665-01PROTAC SMARCA2/4-degrader-1
GTR19257881-01PBRM1/SMARCA2,4-ligand-1
T207244-01PBRM1/SMARCA2,4 binder-1
GTR19238103-01SMARCA2-IN-1
T204542-01SMARCA2/4-ligand-4
T89996-01SMARCA2/4-IN-2

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