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MASTL-IN-4

CAT: 0804-HY-162732-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-162732-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MASTL-IN-4 (compound 70) is a potent MASTL inhibitor with a pIC50 value of 9.15. MASTL-IN-4 shows anti-proliferative activity[1].
CAS Number
2883041-36-7
UNSPSC
12352005
Target
MASTL
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mastl-in-4.html
Purity
99.69
Smiles
NC1=NC(NCC2=CC=CC(F)=C2F)=NC(C3=CC=C(C=NN4)C4=C3)=N1
Molecular Formula
C17H13F2N7
Molecular Weight
353.33
References & Citations
[1]Ki Seon Baek, et al. Preparation of substituted 1,2-diaminoheterocyclic compound derivatives and their use as pharmaceutical agents. WO2022260441A1.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Mastl-IN-4
CAS Number2883041-36-7
PubChem CID167249770
IUPAC Name2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-6-yl)-1,3,5-triazine-2,4-diamine
Molecular FormulaC17H13F2N7
Molecular Weight353.3
XLogP2.9
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity470
SMILES
C1=CC(=C(C(=C1)F)F)CNC2=NC(=NC(=N2)N)C3=CC4=C(C=C3)C=NN4
InChI
InChI=1S/C17H13F2N7/c18-12-3-1-2-11(14(12)19)7-21-17-24-15(23-16(20)25-17)9-4-5-10-8-22-26-13(10)6-9/h1-6,8H,7H2,(H,22,26)(H3,20,21,23,24,25)
InChIKey
DUQPOQNOAUTKMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mastl-IN-4
CAS: 2883041-36-7
CID: 167249770
Formula: C17H13F2N7
MW: 353.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.3
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass353.12004977
Monoisotopic Mass353.12004977
Topological Polar Surface Area105 Ų
Heavy Atom Count26
Formal Charge0
Complexity470
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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