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DB07268

CAT: 0804-HY-15737-01Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-15737-01Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DB07268 is a potent and selective JNK1 inhibitor with an IC50 value of 9 nM.
CAS Number
929007-72-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
JNK
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/DB07268.html
Concentration
10mM
Purity
99.49
Solubility
DMSO : ≥ 32 mg/mL
Smiles
O=C(N)C1=CC=CC=C1NC2=NC(NC3=CC=CC(O)=C3)=NC=C2
Molecular Formula
C17H15N5O2
Molecular Weight
321.33
Precautions
H302, H315, H319
References & Citations
[1]Liu M, et al. Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies. Bioorg Med Chem Lett. 2007 Feb 1;17 (3) :668-72.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
JNK1

Chemical Information

2-((2-((3-Hydroxyphenyl)amino)pyrimidin-4-yl)amino)benzamide

2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide is a member of benzamides and an aminopyrimidine. It has a role as a protein kinase inhibitor.

CAS Number929007-72-7
PubChem CID16058637
IUPAC Name2-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzamide
Molecular FormulaC17H15N5O2
Molecular Weight321.33
XLogP3
Topological Polar Surface Area113
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity422
SMILES
C1=CC=C(C(=C1)C(=O)N)NC2=NC(=NC=C2)NC3=CC(=CC=C3)O
InChI
InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)
InChIKey
QHPKKGUGRGRSGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((2-((3-Hydroxyphenyl)amino)pyrimidin-4-yl)amino)benzamide
CAS: 929007-72-7
CID: 16058637
Formula: C17H15N5O2
MW: 321.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.33
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass321.12257474
Monoisotopic Mass321.12257474
Topological Polar Surface Area113 Ų
Heavy Atom Count24
Formal Charge0
Complexity422
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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