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S6K1-IN-DG2

CAT: 0804-HY-152944-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-152944-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
S6K1-IN-DG2 (Compound 66) is a p70S6K inhibitor (IC50: [1].
CAS Number
871340-88-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Ribosomal S6 Kinase (RSK)
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/s6k1-in-dg2.html
Purity
99.70
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
BrC1=NNC2=NC=NC(N3CCN(CC3)C4=C(OC)C=CC=C4)=C12
Molecular Formula
C16H17BrN6O
Molecular Weight
389.25
Precautions
P261-P280-P302+P352
References & Citations
[1]Neel K. Anand, et al. Kinase modulators and methods of use. Patent. WO2005117909.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-Bromo-4-(4-(2-methoxyphenyl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
CAS Number871340-88-4
PubChem CID25243801
IUPAC Name3-bromo-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine
Molecular FormulaC16H17BrN6O
Molecular Weight389.25
XLogP3.2
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity421
SMILES
COC1=CC=CC=C1N2CCN(CC2)C3=NC=NC4=NNC(=C43)Br
InChI
InChI=1S/C16H17BrN6O/c1-24-12-5-3-2-4-11(12)22-6-8-23(9-7-22)16-13-14(17)20-21-15(13)18-10-19-16/h2-5,10H,6-9H2,1H3,(H,18,19,20,21)
InChIKey
CQXAPCMYRSTDGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-4-(4-(2-methoxyphenyl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
CAS: 871340-88-4
CID: 25243801
Formula: C16H17BrN6O
MW: 389.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.25
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass388.06472
Monoisotopic Mass388.06472
Topological Polar Surface Area70.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity421
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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