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Mobocertinib succinate 100mg

CAT: 0628-A22240-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A22240-100Size:100 mg
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CAS Number
2389149-74-8

Chemical Information

Mobocertinib Succinate

Mobocertinib Succinate is the succinate salt form of mobocertinib, an orally available inhibitor of human epidermal growth factor receptor (EGFR) exon 20 insertion mutations, with antineoplastic activity. Upon oral administration, mobocertinib, and its active metabolites, specifically and irreversibly binds to and inhibits exon 20 insertion mutations of EGFR. This prevents EGFR-mediated signaling and leads to cell death in tumor cells expressing exon 20 insertion mutations. In addition, mobocertinib may inhibit the activity of other EGFR family members, such as human epidermal growth factor receptor 2 (HER2; ERBB2) and HER4. EGFR, HER-2 and -4 are receptor tyrosine kinases often mutated in numerous tumor cell types. They play key roles in tumor cell proliferation and tumor vascularization.

CAS Number2389149-74-8
PubChem CID146026179
IUPAC Namebutanedioic acid;propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
Molecular FormulaC36H45N7O8
Molecular Weight703.8
Topological Polar Surface Area188
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count16
Heavy Atom Count51
Formal Charge0
Complexity1030
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.C(CC(=O)O)C(=O)O
InChI
InChI=1S/C32H39N7O4.C4H6O4/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;5-3(6)1-2-4(7)8/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36);1-2H2,(H,5,6)(H,7,8)
InChIKey
YXYAEUMTJQGKHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mobocertinib Succinate
CAS: 2389149-74-8
CID: 146026179
Formula: C36H45N7O8
MW: 703.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight703.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count16
Exact Mass703.33296142
Monoisotopic Mass703.33296142
Topological Polar Surface Area188 Ų
Heavy Atom Count51
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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