NINGETINIB TOSYLATE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H29FN4O5.C7H8O3S
Molecular Weight	728.786
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CN2N(C(=O)C(C(=O)NC3=CC(F)=C(OC4=CC=NC5=C4C=CC(OCC(C)(C)O)=C5)C=C3)=C2C)C6=CC=CC=C6

InChI

InChIKey=NAUYISNCVNUUDK-UHFFFAOYSA-N

InChI=1S/C31H29FN4O5.C7H8O3S/c1-19-28(30(38)36(35(19)4)21-8-6-5-7-9-21)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(11-12-23(25)26)40-18-31(2,3)39;1-6-2-4-7(5-3-6)11(8,9)10/h5-17,39H,18H2,1-4H3,(H,34,37);2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula	C31H29FN4O5
Molecular Weight	556.5842
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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Tyrosine-protein kinase receptor UFO 14 Target ID: CHEMBL4895 Sources: https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=20170510&CC=CN&NR=106632253A&KC=A	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:14:16 GMT 2023` Edited by `admin` on `Sat Dec 16 14:14:16 GMT 2023`
Record UNII	R7I5725FES
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NINGETINIB TOSYLATE

Common Name

English

1H-PYRAZOLE-4-CARBOXAMIDE, N-(3-FLUORO-4-((7-(2-HYDROXY-2-METHYLPROPOXY)-4-QUINOLINYL)OXY)PHENYL)-2,3-DIHYDRO-1,5-DIMETHYL-3-OXO-2-PHENYL-, 4-METHYLBENZENESULFONATE (1:1)

Systematic Name

English

Ningetinib tosylate [WHO-DD]

Common Name

English

CT-053-PTSA

Code

English

N-(3-FLUORO-4-((7-(2-HYDROXY-2-METHYL-PROPOXY)-4-QUINOLYL)OXY)PHENYL)-1,5-DIMETHYL-3-OXO-2-PHENYL-PYRAZOLE-4-CARBOXAMIDE, 4-METHYLBENZENESULFONIC ACID

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1967