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SMARCA2/4-ligand-6

CAT: 0804-HY-171765Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-171765Size:1 Each
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Description
SMARCA2/4-ligand-6 is a PROTAC target protein ligand (Ligands for Target Protein for PROTACs). SMARCA2/4-ligand-6 can be used for the synthesis of SMARCA2/4-ligand-6.
CAS Number
1997321-77-3
UNSPSC
12352005
Target
Ligands for Target Protein for PROTAC
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
OC1=C(C2=CC(C3=CN(C)N=C3)=C(N)N=N2)C=CC=C1
Molecular Formula
C14H13N5O
Molecular Weight
267.29
References & Citations
[1]Yang L, et.al. Discovery of SMD-3040 as a Potent and Selective SMARCA2 PROTAC Degrader with Strong in vivo Antitumor Activity. J Med Chem. 2023 Jul 31.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

SMARCA2/4-ligand-6
CAS Number1997321-77-3
PubChem CID137029367
IUPAC Name2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol
Molecular FormulaC14H13N5O
Molecular Weight267.29
XLogP0.7
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity329
SMILES
CN1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O
InChI
InChI=1S/C14H13N5O/c1-19-8-9(7-16-19)11-6-12(17-18-14(11)15)10-4-2-3-5-13(10)20/h2-8,20H,1H3,(H2,15,18)
InChIKey
JISLSABSHWDDTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SMARCA2/4-ligand-6
CAS: 1997321-77-3
CID: 137029367
Formula: C14H13N5O
MW: 267.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.29
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass267.11201006
Monoisotopic Mass267.11201006
Topological Polar Surface Area89.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity329
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

Related Products

CatalogName
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HY-162814SMARCA2/4-ligand-3
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HY-159544SMARCA2 ligand-7
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Alternative Products

CatalogName
T207556-01SMARCA2/4-ligand-6
T88924-01SMARCA2 ligand-6
T204542-01SMARCA2/4-ligand-4
GTR19239337-01SMARCA2/4-ligand-3
GTR19238251-01SMARCA2/4-ligand-2
T89330-01SMARCA2/4-ligand-1
GTR19258762-01SMARCA2/4-ligand-5
GTR19257881-01PBRM1/SMARCA2,4-ligand-1
GTR19275136-01SMARCA2 Ligand-Linker Conjugate-4
T203327-01SMARCA2 ligand-12

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