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SPH5030

CAT: 0931-T64114-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T64114-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2364326-23-6
Target
EGFR, Others
Related Pathways
Others, JAK/STAT signaling, Tyrosine Kinase/Adaptors, Angiogenesis
Bioactivity
SPH5030 is an irreversible, selective inhibitor of HER2. SPH5030 inhibits HER2WT (IC50: 3.51 nM), EGFRWT (IC50: 8.13 nM) . SPH5030 can be used in cancer research.
Smiles
N(C=1C2=C(C=C(OCC)C(NC(/C(=C/[C@H]3CCCN3C)/F)=O)=C2)N=CN1)C4=CC(C)=C(OC5=CC=6N(C=C5)N=CN6)C=C4
Molecular Formula
C31H31FN8O3
Molecular Weight
582.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

EP2QR4P7ZL

HER2 Inhibitor SPH5030 is an orally bioavailable, irreversible inhibitor of the receptor tyrosine kinase human epidermal growth factor receptor 2 (HER2; ErbB2; HER-2), with potential antineoplastic activity. Upon oral administration, HER2 inhibitor SPH5030 selectively binds to and inhibits the activity of wild-type and various HER2 mutants. This prevents HER2-mediated signaling and may lead to cell death in HER2-expressing tumor cells. HER2, a receptor tyrosine kinase overexpressed on a variety of tumor cell types, plays an important role in tumor cell proliferation and tumor vascularization.

CAS Number2364326-23-6
PubChem CID137535407
IUPAC Name(Z)-N-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide
Molecular FormulaC31H31FN8O3
Molecular Weight582.6
XLogP4.8
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count43
Formal Charge0
Complexity975
SMILES
CCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC5=NC=NN5C=C4)C)NC(=O)/C(=C/[C@H]6CCCN6C)/F
InChI
InChI=1S/C31H31FN8O3/c1-4-42-28-16-25-23(15-26(28)38-31(41)24(32)13-21-6-5-10-39(21)3)30(35-17-33-25)37-20-7-8-27(19(2)12-20)43-22-9-11-40-29(14-22)34-18-36-40/h7-9,11-18,21H,4-6,10H2,1-3H3,(H,38,41)(H,33,35,37)/b24-13-/t21-/m1/s1
InChIKey
HTAMCULFUCGZAM-FKYOTISTSA-N
Chemical Structure
2D Structure
2D structure of EP2QR4P7ZL
CAS: 2364326-23-6
CID: 137535407
Formula: C31H31FN8O3
MW: 582.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight582.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass582.25031504
Monoisotopic Mass582.25031504
Topological Polar Surface Area119 Ų
Heavy Atom Count43
Formal Charge0
Complexity975
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19184924-01SPH5030

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