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TH287

CAT: 0804-HY-16965-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-16965-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TH287 is a potent and selective inhibitor of MTH1, with an IC50 of 0.8 nM. TH287 is highly selective towards MTH1, with no relevant inhibition of MTH2, NUDT5, NUDT12, NUDT14, NUDT16, dCTPase, dUTPase and ITPA at 100 μM. TH287 could act as a chemotherapeutic agent for cancer research[1].
CAS Number
1609960-30-6
UNSPSC
12352005
Hazard Statement
H302, H318
Target
DNA/RNA Synthesis
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/TH287.html
Purity
98.29
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
NC1=NC(C2=CC=CC(Cl)=C2Cl)=CC(NC)=N1
Molecular Formula
C11H10Cl2N4
Molecular Weight
269.13
Precautions
H302, H318
References & Citations
[1]Gad H, et al. MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool. Nature. 2014 Apr 10;508 (7495) :215-21.|[2]Saleh A, et, al. Development and validation of method for TH588 and TH287, potent MTH1 inhibitors and new anti-cancer agents, for pharmacokinetic studies in mice plasma. J Pharm Biomed Anal. 2015 Feb;104:1-11.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

6-(2,3-Dichlorophenyl)-N4-methylpyrimidine-2,4-diamine
CAS Number1609960-30-6
PubChem CID73441664
IUPAC Name6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine
Molecular FormulaC11H10Cl2N4
Molecular Weight269.13
XLogP3.1
Topological Polar Surface Area63.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity254
SMILES
CNC1=NC(=NC(=C1)C2=C(C(=CC=C2)Cl)Cl)N
InChI
InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)
InChIKey
URWCXPXBBITYLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(2,3-Dichlorophenyl)-N4-methylpyrimidine-2,4-diamine
CAS: 1609960-30-6
CID: 73441664
Formula: C11H10Cl2N4
MW: 269.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight269.13
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass268.0282517
Monoisotopic Mass268.0282517
Topological Polar Surface Area63.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity254
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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