Neratinib

Catalog Number	ACM698387096
CAS Number	698387-09-6
Structure
Synonyms	Nerlynx
IUPAC Name	(E)-N-[4-[3-Chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
Molecular Weight	557.04
Molecular Formula	C30H29ClN6O3
Canonical SMILES	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C
InChI	InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
InChI Key	JWNPDZNEKVCWMY-VQHVLOKHSA-N
Purity	98%+
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	881
Exact Mass	556.1989665
Heavy Atom Count	40
Isomeric SMILES	CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)/C=C/CN(C)C
Monoisotopic Mass	556.1989665
Topological Polar Surface Area	112Ų

Custom Q&A

What is the product name of the chemical compound with the synonyms (2e)-n-[4-[[3-chloro-4-[(pyridin-2-yl)methoxy]phenyl]amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide?

The product name is Neratinib.

What is the CAS number of Neratinib?

The CAS number of Neratinib is 698387-09-6.

What is the molecular formula of Neratinib?

The molecular formula of Neratinib is C30H29ClN6O3.

What are some of the chemical properties of Neratinib?

Some chemical properties of Neratinib include a melting point of 185-187°C, boiling point of 757.0±60.0 °C, density of 1.33, and solubility in chloroform, DMSO, and methanol.

What is the primary usage of Neratinib?

Neratinib is a new anticancer drug developed by US Wyeth company and is an irreversible epidermal growth factor receptor (EGFR) inhibitor.

What are some of the side effects of Neratinib?

Some side effects of Neratinib include diarrhea, nausea, vomiting, and fatigue.

Is Neratinib genotoxic?

Neratinib and its metabolites were not genotoxic according to the reference.

In what type of clinical trial was Neratinib tested?

Neratinib was tested in a phase II trial as monotherapy in patients with advanced HER2-positive breast cancer.

What is the target of Neratinib?

Neratinib targets the HER2 receptor tyrosine kinase.

What are some of the synthesis pathways of Neratinib?

The synthesis pathways of Neratinib involve the use of raw materials to prepare the compound through nucleophilic substitution and condensation reactions.

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