SELATINIB DITOSILATE

Investigational

Details

Stereochemistry	RACEMIC
Molecular Formula	C29H26ClFN4O3S.2C7H8O3S
Molecular Weight	909.461
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CC2=CC=C(C=C2)S(O)(=O)=O.C[S+]([O-])CCNCC3=CC=C(O3)C4=CC=C5N=CN=C(NC6=CC=C(OCC7=CC=CC(F)=C7)C(Cl)=C6)C5=C4

InChI

InChIKey=GUPXYZHIHDNPSW-UHFFFAOYSA-N

InChI=1S/C29H26ClFN4O3S.2C7H8O3S/c1-39(36)12-11-32-16-23-7-10-27(38-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)37-17-19-3-2-4-21(31)13-19;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2*2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula	C29H26ClFN4O3S
Molecular Weight	565.058
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C7H8O3S
Molecular Weight	172.202
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://clinicaltrials.gov/ct2/show/NCT01931943 | https://www.ncbi.nlm.nih.gov/pubmed/24121234

Qilu Pharmaceutical has developed selatinib, an orally available dual inhibitor of epidermal growth factor receptor (EGFR) and human epidermal growth factor 2 receptor (HER-2) for the treatment of cancer. Selatinib participates in phase I of the ongoing clinical trial to evaluate its safety and tolerability, and explore the maximum tolerated dose (MTD) and dose-limiting toxicity in patients with advanced breast cancer.

Originator

Approval Year

PubMed

Title	Date	PubMed
[Metabolic research of domestically developed small molecule tyrosine kinase inhibitors].	2016 Feb	29856578

Sample Use Guides

In Vivo Use Guide

Selatinib Ditosilate either at 450,750,1000,1250mg, p.o. once daily

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:16:50 GMT 2023` Edited by `admin` on `Sat Dec 16 09:16:50 GMT 2023`
Record UNII	6Q2E32HVE7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SELATINIB DITOSILATE

Common Name

English

4-QUINAZOLINAMINE, N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-6-(5-(((2-(METHYLSULFINYL)ETHYL)AMINO)METHYL)-2-FURANYL)-, 4-METHYLBENZENESULFONATE (1:2)

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C129825