Basic Description

Synonyms	AP32788 succinate \| AP-32788 succinate \| CS-0114257 \| 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 \| BCP33315 \| MS-31177 \| Propan-2-yl 2-[4-[2
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	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 succinat
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Action Type	INHIBITOR
Mechanism of action	Epidermal growth factor receptor erbB1 inhibitor
Product Description	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 In Vitro Mobocertinib succinate (1.5 nM-10 μM; 7 days) inhibits LU0387 (NPH) cells with IC 50 of 21 nM. Mobocertinib succinate (2 h) potently inhibits EGFR with common activating mutations (HCC827 (D), HCC4011 (L)) or with a T790M mutation (H1975 (LT)) more potently than WT EGFR (A431 (WT)). Mobocertinib succinate (0.1 nM-1 μM; 6 h) inhibits pEGFR and pERK1/2 in CUTO14 (ASV) cells. Mobocertinib succinate (0.3 nM-1 μM; 6 h) inhibits EGFR and downstream signaling. Mobocertinib succinate (0.01, 0.1 and 1 μM; 6 h) inhibits HER2 signaling in H1781 (HER2 Exon 20 G776>VC ), Ba/F3 (HER2 exon 20 YVMA ) cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: LU0387 (NPH) cells Concentration: 1.5 nM-10 μM Incubation Time: 7 days Result: Showed good inhibition activity for LU0387 (NPH) cells with IC 50 of 21 nM. Cell Viability AssayCell Line: A431 (WT), HCC827 (D), HCC4011 (L), H1975 (LT) cells Concentration: Incubation Time: 2 h Result: Inhibited EGFR with common activating mutations of HCC827 (D), HCC4011 (L) cells and T790M mutation of H1975 (LT) with IC 50 s of 4, 1.3 and 9.8 nM respectively, which more potently than WT EGFR (A431 (WT); IC 50 of 35 nM). Western Blot AnalysisCell Line: CUTO14 (ASV) cells Concentration: 0.1 nM-1 μM Incubation Time: 6 h Result: Robustly inhibited EGFR signaling, reaching 80% and 100% inhibition of phosphorylated EGFR (pEGFR) at concentrations of 100 nM and 1 μM, respectively. Western Blot AnalysisCell Line: HCC827 (D), HCC4011 (L), H1975 (LT) cells Concentration: 0.3 nM-1 μM Incubation Time: 6 h Result: Potently inhibited EGFR and downstream signaling in HCC827 (D), HCC4011 (L) and H1975 (LT) cells. Western Blot AnalysisCell Line: H1781 (HER2 Exon 20 G776>VC ), Ba/F3 (HER2 exon 20 YVMA ) cells Concentration: 0.01, 0.1 and 1 μM Incubation Time: 6 h Result: Inhibited HER2 signaling in H1781 and Ba/F3-HER2 exon 20 YVMA mutant cells at 0.1 μM with significantly decreased phosphorylations of HER2, AKT, and ERK1/2 in a dose-dependent manner. In Vivo Mobocertinib succinate (3, 10, 30 mg/kg; p.o.; once daily for 20 days) significantly induces tumor growth inhibition . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female Athymic Nude-Foxn1 nu mice (human NSCLC H1975 LT tumor model) . Dosage: 3, 10, 30 mg/kg Administration: Oral; once daily for 20 days. Result: Decreased the mean tumor volume by 44% and 92% when at 3 mg/kg and 10 mg/kg, respectively, relative to the tumor size of vehicle group. Induced a 76% tumor regression relative to the pretreatment tumor size at 30 mg/kg. Form:Solid IC50& Target:EGFR exon 20 insertion HER2 EGFR (WT)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Not available
Direct Parent	2'-Aminoanilides
Alternative Parents	N-alkylindoles Pyrimidinecarboxylic acids Methoxyanilines Indoles Aminophenyl ethers Phenoxy compounds N-arylamides Methoxybenzenes Dialkylarylamines Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers N-methylpyrroles Fatty acids and conjugates Dicarboxylic acids and derivatives Heteroaromatic compounds Acrylic acids and derivatives Trialkylamines Secondary carboxylic acid amides Carboxylic acid esters Amino acids and derivatives Secondary amines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Not available
Substituents	2'-aminoanilide - N-alkylindole - Aminophenyl ether - Methoxyaniline - Pyrimidine-5-carboxylic acid or derivatives - Pyrimidine-5-carboxylic acid - Indole or derivatives - Indole - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - N-arylamide - Tertiary aliphatic/aromatic amine - Phenol ether - Anisole - Aminopyrimidine - Alkyl aryl ether - Fatty acid - Substituted pyrrole - Pyrimidine - N-methylpyrrole - Dicarboxylic acid or derivatives - Acrylic acid or derivatives - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 2'-aminoanilides. These are organic compounds containing an anilide moieties that carries an amino group at the 2-position of the benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	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
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
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
Isomeric 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
Alternate CAS	2389149-74-8
PubChem CID	146026179
Molecular Weight	703.78

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 125 mg/mL (177.61 mM; Need ultrasonic)
Molecular Weight	703.800 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	16
Exact Mass	703.333 Da
Monoisotopic Mass	703.333 Da
Topological Polar Surface Area	188.000 Å²
Heavy Atom Count	51
Formal Charge	0
Complexity	1030.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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SKU	Size	Availability	Price
M651984-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
M651984-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$90.90
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Mobocertinib succinate - 99%, high purity , Epidermal growth factor receptor erbB1 inhibitor, CAS No.2389149-74-8, Epidermal growth factor receptor erbB1 inhibitor