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Details

Stereochemistry ACHIRAL
Molecular Formula C23H22FN3O3.2ClH
Molecular Weight 480.359
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Catequentinib Hydrochloride

SMILES

Cl.Cl.COC1=CC2=C(C=C1OCC3(N)CC3)N=CC=C2OC4=C(F)C5=C(NC(C)=C5)C=C4

InChI

InChIKey=UUAKQNIPIXQZFN-UHFFFAOYSA-N
InChI=1S/C23H22FN3O3.2ClH/c1-13-9-15-16(27-13)3-4-19(22(15)24)30-18-5-8-26-17-11-21(20(28-2)10-14(17)18)29-12-23(25)6-7-23;;/h3-5,8-11,27H,6-7,12,25H2,1-2H3;2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C23H22FN3O3
Molecular Weight 407.4375
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

AL3818 (anlotinib) is a receptor tyrosine kinase inhibitor targeting vascular endothelial growth factor receptors (VEGFR1, VEGFR2/KDR, and VEGFR3), stem cell factor receptor (C-kit), platelet-derived growth factor (PDGFβ), and fibroblast growth factor receptors (FGFR1, FGFR2, and FGFR3). Anlotibib is a kind of innovative medicines approved by State Food and Drug Administration(SFDA:2011L00661) which was researched by Jiangsu Chia-tai Tianqing Pharmaceutical Co., Ltd. Phase III development is underway for the treatment of thyroid cancer, gastric cancer, leiomyosarcoma; non-small cell lung cancer; synovial sarcoma; thyroid cancer etc.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.2 nM [IC50]
1.0 nM [IC50]
7.7 null [pIC50]
Conditions
PubMed

PubMed

TitleDatePubMed
Safety, pharmacokinetics, and antitumor properties of anlotinib, an oral multi-target tyrosine kinase inhibitor, in patients with advanced refractory solid tumors.
2016 Oct 4
Patents

Sample Use Guides

Anlotinib (AL3818) 12 mg orally administered once daily in 21-day cycles (14 days on treatment, 7 days off treatment)
Route of Administration: Oral
AN3CA cells appeared the most sensitive to AL3818 with an IC50 value of 84 nM. The other cell lines were approximately 28- to 550-fold less sensitive to AL3818. HEC1B had an IC50 value of 46 uM, and MFE296 cells were sensitive to AL3818, with an IC50 value of 2.9 uM compared with 3.2, 28.9, 29, and 40 uM for Ishikawa, MFE280, KLE, and HEC1A, respectively.
Substance Class Chemical
Created
by admin
on Sat Dec 16 19:47:39 GMT 2023
Edited
by admin
on Sat Dec 16 19:47:39 GMT 2023
Record UNII
A3749M6582
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANLOTINIB DIHYDROCHLORIDE
Preferred Name English
Catequentinib Hydrochloride
USAN  
Official Name English
Cyclopropanamine, 1-[[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-quinoliny]oxy]methyl]-, hydrochloride (1:2)
Systematic Name English
ANLOTINIB HYDROCHLORIDE
Common Name English
AL3818 dihydrochloride
Code English
CATEQUENTINIB DIHYDROCHLORIDE
Common Name English
1-[({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl}oxy)methyl]cyclopropan-1-amine dihydrochloride
Systematic Name English
CATEQUENTINIB HYDROCHLORIDE [USAN]
Common Name English
AL-3818 DIHYDROCHLORIDE
Code English
Catequentinib hydrochloride [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1967
Created by admin on Sat Dec 16 19:47:39 GMT 2023 , Edited by admin on Sat Dec 16 19:47:39 GMT 2023
NCI_THESAURUS C1742
Created by admin on Sat Dec 16 19:47:39 GMT 2023 , Edited by admin on Sat Dec 16 19:47:39 GMT 2023
NCI_THESAURUS C129825
Created by admin on Sat Dec 16 19:47:39 GMT 2023 , Edited by admin on Sat Dec 16 19:47:39 GMT 2023
EU-Orphan Drug EU/3/18/1972
Created by admin on Sat Dec 16 19:47:39 GMT 2023 , Edited by admin on Sat Dec 16 19:47:39 GMT 2023
FDA ORPHAN DRUG 502715
Created by admin on Sat Dec 16 19:47:39 GMT 2023 , Edited by admin on Sat Dec 16 19:47:39 GMT 2023
Code System Code Type Description
USAN
LM-11
Created by admin on Sat Dec 16 19:47:39 GMT 2023 , Edited by admin on Sat Dec 16 19:47:39 GMT 2023
PRIMARY
SMS_ID
100000177426
Created by admin on Sat Dec 16 19:47:39 GMT 2023 , Edited by admin on Sat Dec 16 19:47:39 GMT 2023
PRIMARY
PUBCHEM
57380530
Created by admin on Sat Dec 16 19:47:39 GMT 2023 , Edited by admin on Sat Dec 16 19:47:39 GMT 2023
PRIMARY
CAS
1360460-82-7
Created by admin on Sat Dec 16 19:47:39 GMT 2023 , Edited by admin on Sat Dec 16 19:47:39 GMT 2023
PRIMARY
NCI_THESAURUS
C106428
Created by admin on Sat Dec 16 19:47:39 GMT 2023 , Edited by admin on Sat Dec 16 19:47:39 GMT 2023
PRIMARY
FDA UNII
A3749M6582
Created by admin on Sat Dec 16 19:47:39 GMT 2023 , Edited by admin on Sat Dec 16 19:47:39 GMT 2023
PRIMARY
EVMPD
SUB192811
Created by admin on Sat Dec 16 19:47:39 GMT 2023 , Edited by admin on Sat Dec 16 19:47:39 GMT 2023
PRIMARY
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