PF-562271 BESILATE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H20F3N7O3S.C6H6O3S
Molecular Weight	665.664
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(=O)(=O)C1=CC=CC=C1.CN(C2=NC=CC=C2CNC3=C(C=NC(NC4=CC=C5NC(=O)CC5=C4)=N3)C(F)(F)F)S(C)(=O)=O

InChI

InChIKey=LKLWTLXTOVZFAE-UHFFFAOYSA-N

InChI=1S/C21H20F3N7O3S.C6H6O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16;7-10(8,9)6-4-2-1-3-5-6/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30);1-5H,(H,7,8,9)

HIDE SMILES / InChI

Molecular Formula	C21H20F3N7O3S
Molecular Weight	507.489
Charge	0
Count

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

Molecular Formula	C6H6O3S
Molecular Weight	158.175
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Focal adhesion kinase 1 15 Target ID: Q05397 Gene ID: 5747.0 Gene Symbol: PTK2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/18339875	Inhibitor 8297		1.5 nM [IC50]

PubMed

Title	Date	PubMed
Therapeutic targeting of the focal adhesion complex prevents oncogenic TGF-beta signaling and metastasis.	2009	19740433

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:50:12 GMT 2023` Edited by `admin` on `Sat Dec 16 18:50:12 GMT 2023`
Record UNII	FK2M84H8UI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PF-562271 BESILATE

Common Name

English

PF 562271 [WHO-DD]

Common Name

English

PF-00562271

Common Name

English

PF 00562271-26

Code

English

METHANESULFONAMIDE, N-(3-(((2-((2,3-DIHYDRO-2-OXO-1H-INDOL-5-YL)AMINO)-5-(TRIFLUOROMETHYL)-4-PYRIMIDINYL)AMINO)METHYL)-2-PYRIDINYL)-N-METHYL-, BENZENESULFONATE

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C78199