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NIBR-17

CAT: 0804-HY-18310-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18310-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NIBR-17 is a pan-class I PI3K inhibitor with suitable pharmacokinetic properties and inhibits tumor growth[1].
CAS Number
944396-88-7
UNSPSC
12352005
Target
PI3K
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nibr-17.html
Solubility
10 mM in DMSO
Smiles
NC1=NC=C(C2=NC(N3CCOCC3)=NC(NC4=CC=C(OC)N=C4)=C2)C=N1
Molecular Formula
C18H20N8O2
Molecular Weight
380.40
References & Citations
[1]Burger MT, et al. Synthesis and in Vitro and in Vivo Evaluation of Phosphoinositide-3-kinase Inhibitors. ACS Med Chem Lett. 2010 Oct 13;2 (1) :34-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N6-(6-methoxypyridin-3-yl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine
CAS Number944396-88-7
PubChem CID53322732
IUPAC Name6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
Molecular FormulaC18H20N8O2
Molecular Weight380.4
XLogP1
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity473
SMILES
COC1=NC=C(C=C1)NC2=NC(=NC(=C2)C3=CN=C(N=C3)N)N4CCOCC4
InChI
InChI=1S/C18H20N8O2/c1-27-16-3-2-13(11-20-16)23-15-8-14(12-9-21-17(19)22-10-12)24-18(25-15)26-4-6-28-7-5-26/h2-3,8-11H,4-7H2,1H3,(H2,19,21,22)(H,23,24,25)
InChIKey
XZTYTIOLZIKUJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N6-(6-methoxypyridin-3-yl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine
CAS: 944396-88-7
CID: 53322732
Formula: C18H20N8O2
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass380.17092191
Monoisotopic Mass380.17092191
Topological Polar Surface Area124 Ų
Heavy Atom Count28
Formal Charge0
Complexity473
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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