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Mobocertinib

CAT: 0931-T8151-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T8151-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1847461-43-1
Target
EGFR
Related Pathways
JAK/STAT signaling, Tyrosine Kinase/Adaptors, Angiogenesis
Purity
0.9997
Bioactivity
Mobocertinib (tak788) is a potent inhibitor of epidermal growth factor receptor (EGFR) and an antineoplastic agent
Smiles
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C(=O)OC(C)C)c(n1)-c1cn(C)c2ccccc12
Molecular Formula
C32H39N7O4
Molecular Weight
585.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mobocertinib

Mobocertinib is a kinase inhibitor targeted against human epidermal growth factor receptor (EGFR). It is used specifically in the treatment of non-small cell lung cancer (NSCLC) caused by exon 20 insertion mutations in the EGFR gene, which are typically associated with a poorer prognosis (as compared to "classical" EGFR mutants causing NSCLC) and are associated with resistance to standard targeted EGFR inhibitors. Mobocertinib appears to be an effective means of treating this otherwise treatment-resistant NSCLC, exerting an inhibitory effect on EGFR exon 20 insertion mutant variants at concentrations 1.5- to 10-fold lower than those required to inhibit wild-type EGFR. Mobocertinib, under the brand name Exkivity (Takeda Pharmaceuticals Inc.), was granted accelerated approval by the FDA in September 2021 for the treatment of locally advanced or metastatic NSCLC in patients with EGFR exon 20 insertion mutations who have failed previous therapies.

CAS Number1847461-43-1
PubChem CID118607832
IUPAC Namepropan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
Molecular FormulaC32H39N7O4
Molecular Weight585.7
XLogP4.4
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count43
Formal Charge0
Complexity935
SMILES
CC(C)OC(=O)C1=CN=C(N=C1C2=CN(C3=CC=CC=C32)C)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC
InChI
InChI=1S/C32H39N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36)
InChIKey
AZSRSNUQCUDCGG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mobocertinib
CAS: 1847461-43-1
CID: 118607832
Formula: C32H39N7O4
MW: 585.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight585.7
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass585.30635275
Monoisotopic Mass585.30635275
Topological Polar Surface Area114 Ų
Heavy Atom Count43
Formal Charge0
Complexity935
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

Alternative Products

CatalogName
BA6327-100Mobocertinib
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A22334-10Mobocertinib 10mg
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PVD14974-01Mobocertinib (succinate)
MBS3846768-01Mobocertinib succinate
A22334-500Mobocertinib 500mg
HY-135815BMobocertinib (mesylate)
A22334-25Mobocertinib 25mg

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