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ChemicalBook >> CAS DataBase List >>1,4-Benzoxazepin-5(2H)-one, 4-[(4-fluorophenyl)methyl]-3,4-dihydro-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-

1,4-Benzoxazepin-5(2H)-one, 4-[(4-fluorophenyl)methyl]-3,4-dihydro-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-

CAS No.
2754265-25-1
Chemical Name:
1,4-Benzoxazepin-5(2H)-one, 4-[(4-fluorophenyl)methyl]-3,4-dihydro-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-
Synonyms
TNIK-IN-3;TNIK inhibitor;TNIK IN 3,TNIKIN3;TNIK-IN-3, 10 mM in DMSO;1,4-Benzoxazepin-5(2H)-one, 4-[(4-fluorophenyl)methyl]-3,4-dihydro-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-
CBNumber:
CB610724499
Molecular Formula:
C23H18FN3O2
Molecular Weight:
387.41
MDL Number:
MOL File:
2754265-25-1.mol
Last updated:2025-04-17 18:22:24

1,4-Benzoxazepin-5(2H)-one, 4-[(4-fluorophenyl)methyl]-3,4-dihydro-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)- Properties

Density 1.354±0.06 g/cm3(Predicted)
storage temp. Store at -20°C
solubility DMSO : 83.33 mg/mL (215.10 mM; Need ultrasonic)
pka 13.48±0.40(Predicted)
form Solid
color Off-white to light yellow

1,4-Benzoxazepin-5(2H)-one, 4-[(4-fluorophenyl)methyl]-3,4-dihydro-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)- Chemical Properties,Uses,Production

Uses

TNIK-IN-3 is a potent, selective and orally active inhibitor of Traf2- and Nck-interacting protein kinase (TNIK), with an IC50 of 0.026 μM. TNIK-IN-3 could also inhibit Flt4 (IC50=0.030 μM), Flt1 (IC50=0.191 μM) and DRAK1 (IC50=0.411 μM). TNIK-IN-3 can be used for the research of colorectal cancer[1].

Biological Activity

TNIK-IN-3 is a potent, selective and orally active inhibitor of Traf2- and Nck-interacting protein kinase (TNIK), with an IC50 of 0.026 μM. TNIK-IN-3 could also inhibit Flt4 (IC50=0.030 μM), Flt1 (IC50=0.191 μM) and DRAK1 (IC50=0.411 μM). TNIK-IN-3 can be used for the research of colorectal cancer[1]. TNIK-IN-3 (compound 21k) inhibits Aurora-A, GCK, and MLK3 with IC50s of 0.517 μM, 3.657 μM, and 4.552 μM, respectively[1].TNIK-IN-3 (0.1-100 μM; 3 days) inhibits the viability of HCT116 and DLD-1 cells, with IC50s of 4.26 μM and 8.00 μM, respectively[1].TNIK-IN-3 (2.5-40 μM; 10 days) dose-dependently inhibits the colony formation of HCT116 and DLD-1 cells[1].TNIK-IN-3 (5-20 μM; 48 h) inhibits the migration of HCT116 and DLD-1 cells[1].TNIK-IN-3 (5-40 μM; 48 h) dose-dependently inhibits the expression ofLRP5 and LRP6 proteins, Wnt target genes AXIN2 and c-Myc in HCT116 cells[1].TNIK-IN-3 (5-20 μM; 48 h) significantly suppresses the phosphorylation of JNK1/2 in Hela cells[1]. TNIK-IN-3 (compound 21k) (100-150 mg/kg; p.o. twice daily for 18 days) inhibits tumor growth in a dose-dependent manner[1].

in vivo

TNIK-IN-3 (compound 21k) (100-150 mg/kg; p.o. twice daily for 18 days) inhibits tumor growth in a dose-dependent manner[1].

Animal Model:Six-week-old female NOD-SCID mice were injected with HCT116 cells[1]
Dosage:100, 150 mg/kg
Administration:P.o. twice daily for 18 days
Result:Significantly inhibited tumor growth at a dose of 150 mg/kg.
No obvious weight loss and no other side effects were observed.

References

[1]. Li Y, et, al. Discovery of 3,4-Dihydrobenzo[ f][1,4]oxazepin-5(2 H)-one Derivatives as a New Class of Selective TNIK Inhibitors and Evaluation of Their Anti-Colorectal Cancer Effects. J Med Chem. 2022 Jan 5.

1,4-Benzoxazepin-5(2H)-one, 4-[(4-fluorophenyl)methyl]-3,4-dihydro-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)- Preparation Products And Raw materials

Raw materials

Preparation Products

1,4-Benzoxazepin-5(2H)-one, 4-[(4-fluorophenyl)methyl]-3,4-dihydro-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)- Suppliers

Global( 12)Suppliers
Supplier Tel Email Country ProdList Advantage
ATK CHEMICAL COMPANY LIMITED 		+undefined-21-51877795 ivan@atkchemical.com China 33024 60
TargetMol Chemicals Inc. 		+1-781-999-5354 +1-00000000000 marketing@targetmol.com United States 32222 58
TargetMol Chemicals Inc. 4008200310 marketing@tsbiochem.com China 24719 58
Wuhan Yuxiang Medical Technology Co., Ltd. 13971275651 sales@whyxpharma.com China 1763 58
Nanjing Tengyi Biotechnology Co., Ltd 025-58851786 17714337195 sales@tybiochem.com China 7165 58
Shanghai Yifei Biotechnology Co. , Ltd. 021-65675885 18964387627 customer_service@efebio.com China 11973 58
https://hanhongsci.com/ 021-54306202 18917919676 info@hanhongsci.com China 29998 58
Shanghai?Medlife?Pharm-Tech?Co.,?Ltd 021-59167510 18117107507 vip@med-life.cn China 4997 58
RD International Technology Co., Limited 18024082417 market@ubiochem.com China 9835 58
Sangon Biotech (Shanghai) Co.,Ltd. 400-821-026 Sales@sangon.com China 47255 58

View Lastest Price from 1,4-Benzoxazepin-5(2H)-one, 4-[(4-fluorophenyl)methyl]-3,4-dihydro-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)- manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
TNIK-IN-3 pictures 2024-11-19 TNIK-IN-3
2754265-25-1
 US $108.00-428.00 / mg 99.56% 10g TargetMol Chemicals Inc.
  • TNIK-IN-3 pictures
  • TNIK-IN-3
    2754265-25-1
  • US $108.00-428.00 / mg
  • 99.56%
  • TargetMol Chemicals Inc.

1,4-Benzoxazepin-5(2H)-one, 4-[(4-fluorophenyl)methyl]-3,4-dihydro-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)- Spectrum

1,4-Benzoxazepin-5(2H)-one, 4-[(4-fluorophenyl)methyl]-3,4-dihydro-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)- TNIK inhibitor TNIK-IN-3 TNIK IN 3,TNIKIN3 TNIK-IN-3, 10 mM in DMSO 2754265-25-1