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7-Deazaguanine

CAT: 0804-HY-34222-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-34222-01Size:100 mg
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Description
7-Deazaguanine (Compound 1) is a highly selective, well-tolerated, brain-penetrant DYRK1A inhibitor. 7-Deazaguanine is promising for research of cancers and Down’s syndrome[1].
CAS Number
7355-55-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
DYRK
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/7-deazaguanine.html
Purity
99.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1C2=C(NC=C2)NC(N)=N1
Molecular Formula
C6H6N4O
Molecular Weight
150.14
Precautions
H302, H315, H319, H335
References & Citations
[1]Lee Walmsley D, et al. Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J Med Chem. 2021 Jul 8;64 (13) :8971-8991.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
DYRK1

Chemical Information

7-Deazaguanine

DG is 7-deazaguanine.

CAS Number7355-55-7
PubChem CID135408714
IUPAC Name2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Molecular FormulaC6H6N4O
Molecular Weight150.14
XLogP-0.8
Topological Polar Surface Area83.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity225
SMILES
C1=CNC2=C1C(=O)NC(=N2)N
InChI
InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)
InChIKey
OLAFFPNXVJANFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Deazaguanine
CAS: 7355-55-7
CID: 135408714
Formula: C6H6N4O
MW: 150.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.14
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass150.05416083
Monoisotopic Mass150.05416083
Topological Polar Surface Area83.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity225
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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