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Varlitinib Tosylate

CAT: 0931-T20954Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T20954Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1146629-86-8
Target
Others, EGFR
Related Pathways
Tyrosine Kinase/Adaptors, Angiogenesis, JAK/STAT signaling, Others
Bioactivity
Varlitinib Tosylate is a selective and potent inhibitor of ErbB1 (EGFR) and ErbB2 (HER2) .
Smiles
O=S(O)(C1=CC=C(C=C1)C)=O.C[C@H](CO2)N=C2NC3=CC(C(NC4=CC(Cl)=C(C=C4)OCC5=NC=CS5)=NC=N6)=C6C=C3.O=S(O)(C7=CC=C(C=C7)C)=O
Molecular Formula
C36H35ClN6O8S3
Molecular Weight
811.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Varlitinib Tosylate

Varlitinib Tosylate is the tosylate salt form of varlitinib, an orally bioavailable inhibitor of the epidermal growth factor receptor family with potential antineoplastic activity. Varlitinib selectively and reversibly binds to both EGFR (ErbB-1) and Her-2/neu (ErbB-2) and prevents their phosphorylation and activation, which may result in inhibition of the associated signal transduction pathways, inhibition of cellular proliferation and cell death. EGFR and Her-2 play important roles in cell proliferation and differentiation and are upregulated in various human tumor cell types. Due to the dual inhibition of both EGFR and Her-2, this agent may be therapeutically more effective than agents that inhibit EGFR or Her-2 alone.

CAS Number1146629-86-8
PubChem CID44225877
IUPAC Name4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;bis(4-methylbenzenesulfonic acid)
Molecular FormulaC36H35ClN6O8S3
Molecular Weight811.4
Topological Polar Surface Area247
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Heavy Atom Count54
Formal Charge0
Complexity866
SMILES
C[C@@H]1COC(=N1)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=NC=CS5)Cl.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C22H19ClN6O2S.2C7H8O3S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28);2*2-5H,1H3,(H,8,9,10)/t13-;;/m1../s1
InChIKey
QSUPQMGDXOHVLK-FFXKMJQXSA-N
Chemical Structure
2D Structure
2D structure of Varlitinib Tosylate
CAS: 1146629-86-8
CID: 44225877
Formula: C36H35ClN6O8S3
MW: 811.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight811.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Exact Mass810.1367033
Monoisotopic Mass810.1367033
Topological Polar Surface Area247 Ų
Heavy Atom Count54
Formal Charge0
Complexity866
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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