Pyrotinib

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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 206201

CAS#: 1269662-73-8 (free base)

Description: Pyrotinibm, also known as SHR-1258, is an orally bioavailable, dual kinase inhibitor of the epidermal growth factor receptor (EGFR or HER-1) and the human epidermal growth factor receptor 2 (ErbB2 or HER-2), with potential antineoplastic activity. Upon oral administration, pyrotinib binds to and inhibits both EGFR and HER2, which may result in the inhibition of tumor growth and angiogenesis, and tumor regression in EGFR/HER2-expressing tumor cells. EGFR and HER2 are receptor tyrosine kinases that are upregulated in various tumor cell types and play major roles in tumor cell proliferation and tumor vascularization.


Chemical Structure

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Pyrotinib
CAS# 1269662-73-8 (free base)

Theoretical Analysis

MedKoo Cat#: 206201
Name: Pyrotinib
CAS#: 1269662-73-8 (free base)
Chemical Formula: C32H31ClN6O3
Exact Mass: 582.2146
Molecular Weight: 583.089
Elemental Analysis: C, 65.92; H, 5.36; Cl, 6.08; N, 14.41; O, 8.23

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Related CAS #: 1269662-73-8 (free base)   1397922-61-0 (maleate)    

Synonym: Pyrotinib; SHR-1258; SHR1258; SHR 1258; Pyrotinib maleate

IUPAC/Chemical Name: (R,E)-N-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-3-(1-methylpyrrolidin-2-yl)acrylamide

InChi Key: SADXACCFNXBCFY-IYNHSRRRSA-N

InChi Code: InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1

SMILES Code: O=C(NC1=C(OCC)C=C2N=CC(C#N)=C(NC3=CC=C(OCC4=NC=CC=C4)C(Cl)=C3)C2=C1)/C=C/[C@@H]5N(C)CCC5

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 583.089 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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 1: Zhu Y, Li L, Zhang G, Wan H, Yang C, Diao X, Chen X, Zhang L, Zhong D.
Metabolic characterization of pyrotinib in humans by ultra-performance liquid
chromatography/quadrupole time-of-flight mass spectrometry. J Chromatogr B Analyt
Technol Biomed Life Sci. 2016 Oct 15;1033-1034:117-27. doi:
10.1016/j.jchromb.2016.08.009. PubMed PMID: 27541626.



Additional Information