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Chemical structure of Mobocertinib succinate

GC62160

Mobocertinib succinate

Also known as butanedioic 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

Mobocertinib (TAK-788) succinate is an orally active and irreversible EGFR/HER2 inhibitor· Mobocertinib succinate potently inhibits oncogenic variants containing activating EGFRex20ins mutations with selectivity over wild-type EGFR· Mobocertinib succinate can be used in NSCLC research

ChemicalCAS2389149-74-8MW703.78FormulaC36H45N7O8
CAS number
2389149-74-8
Molecular weight
703.78
Formula
C36H45N7O8
Solubility
DMSO ： 25 mg/mL (35·52 mM; Need ultrasonic)
InChIKey
YXYAEUMTJQGKHS-UHFFFAOYSA-N
Catalogue number
GC62160
Brand
GLPBIO
Computed properties PubChem CID 146026179 · TPSA 188 Ų · H-bond donors 4 · H-bond acceptors 13
TPSA
188 Ų
H-bond donors
4
H-bond acceptors
13
Rotatable bonds
16
Heavy atoms
51

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

Computed descriptors from PubChem (CID 146026179), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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