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Details

Stereochemistry RACEMIC
Molecular Formula C29H26ClFN4O3S
Molecular Weight 565.058
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SELATINIB

SMILES

C[S+]([O-])CCNCC1=CC=C(O1)C2=CC=C3N=CN=C(NC4=CC=C(OCC5=CC=CC(F)=C5)C(Cl)=C4)C3=C2

InChI

InChIKey=OAMVGUFHZPRXOM-UHFFFAOYSA-N
InChI=1S/C29H26ClFN4O3S/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/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)

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

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.

Approval Year

PubMed

PubMed

TitleDatePubMed
[Metabolic research of domestically developed small molecule tyrosine kinase inhibitors].
2016 Feb

Sample Use Guides

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 09:16:51 GMT 2023
Edited
by admin
on Sat Dec 16 09:16:51 GMT 2023
Record UNII
6TLR8U8O3C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SELATINIB
Common Name English
4-QUINAZOLINAMINE, N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-6-(5-(((2-(METHYLSULFINYL)ETHYL)AMINO)METHYL)-2-FURANYL)-
Systematic Name English
Code System Code Type Description
CAS
1275595-86-2
Created by admin on Sat Dec 16 09:16:52 GMT 2023 , Edited by admin on Sat Dec 16 09:16:52 GMT 2023
PRIMARY
FDA UNII
6TLR8U8O3C
Created by admin on Sat Dec 16 09:16:52 GMT 2023 , Edited by admin on Sat Dec 16 09:16:52 GMT 2023
PRIMARY
PUBCHEM
51348455
Created by admin on Sat Dec 16 09:16:52 GMT 2023 , Edited by admin on Sat Dec 16 09:16:52 GMT 2023
PRIMARY
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SALT/SOLVATE -> PARENT
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ACTIVE MOIETY