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MTX-211

CAT: 0804-HY-107364-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107364-02Size:5 mg
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Description
MTX-211 (Mol 211) is a dual inhibitor of EGFR and PI3K with IC50 values of [1].
CAS Number
1952236-05-3
Product Name Alternative
Mol 211
UNSPSC
12352005
Hazard Statement
H315, H319
Target
EGFR; PI3K
Type
Reference compound
Related Pathways
JAK/STAT Signaling; PI3K/Akt/mTOR; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/MTX-211.html
Concentration
10mM
Purity
99.81
Solubility
DMSO : 12.5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CS(NC1=CC(C2=CC(C(NC3=CC(Cl)=C(F)C=C3)=NC=N4)=C4C=C2)=CN=C1Cl)(=O)=O
Molecular Formula
C20H14Cl2FN5O2S
Molecular Weight
478.33
Precautions
H315, H319
References & Citations
[1]Small molecule inhibitors of egfr and pi3k. WO 2016100347 A2
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
EGFR/ErbB1/HER1; PI3K

Chemical Information

N-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]pyridin-3-yl]methanesulfonamide
CAS Number1952236-05-3
PubChem CID121416213
IUPAC NameN-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
Molecular FormulaC20H14Cl2FN5O2S
Molecular Weight478.3
XLogP4.6
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity714
SMILES
CS(=O)(=O)NC1=C(N=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)Cl
InChI
InChI=1S/C20H14Cl2FN5O2S/c1-31(29,30)28-18-7-12(9-24-19(18)22)11-2-5-17-14(6-11)20(26-10-25-17)27-13-3-4-16(23)15(21)8-13/h2-10,28H,1H3,(H,25,26,27)
InChIKey
GUYKCXXNIKKSBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]pyridin-3-yl]methanesulfonamide
CAS: 1952236-05-3
CID: 121416213
Formula: C20H14Cl2FN5O2S
MW: 478.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.3
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass477.0229294
Monoisotopic Mass477.0229294
Topological Polar Surface Area105 Ų
Heavy Atom Count31
Formal Charge0
Complexity714
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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Alternative Products

CatalogName
BA6343-1MTX-211
A18324-25MTX-211 25mg
A18324-5MTX-211 5mg
A18324-2MTX-211 2mg
A18324-50MTX-211 50mg
A18324-100MTX-211 100mg
A18324-10MTX-211 10mg
A18324-1MTX-211 1mg

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