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Details

Stereochemistry ACHIRAL
Molecular Formula C15H12F2N6O3S
Molecular Weight 394.3577
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JNJ-7706621

SMILES

c1cc(c(c(c1)F)C(=O)n2c(=N)nc(Nc3ccc(cc3)S(=O)(=O)N)[nH]2)F

InChI

InChIKey=KDKUVYLMPJIGKA-UHFFFAOYSA-N
InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)

HIDE SMILES / InChI

Molecular Formula C15H12F2N6O3S
Molecular Weight 394.3577
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

JNJ-7706621, developed by Johnson & Johnson Pharmaceutical, is pan-CDK inhibitor with the highest potency on cyclin-dependent kinases: CDK1/2. Inhibition of CDK1 kinase activity, altered CDK1 phosphorylation status, and interference with downstream substrates such as retinoblastoma was also shown in human tumor cells following drug treatment. It also potently inhibits Aurora A/B and has no activity on Plk1 and Wee1. In human cancer cells, treatment with JNJ-7706621 inhibited cell growth independent of p53, retinoblastoma, or P-glycoprotein status; activated apoptosis; and reduced colony formation. At low concentrations, JNJ-7706621 slowed the growth of cells and at higher concentrations induced cytotoxicity. JNJ-7706621 is a unique inhibitor regulating cell cycle progression at multiple points, suggesting that it could be useful for cell cycle analysis and therapy of various cancers, including Ewing's sarcoma.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
9.0 nM [IC50]
4.0 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
1-Acyl-1H-[1,2,4]triazole-3,5-diamine analogues as novel and potent anticancer cyclin-dependent kinase inhibitors: synthesis and evaluation of biological activities.
2005 Jun 30
Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity.
2011 Oct 30
A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.
2013 Apr 15
Patents

Sample Use Guides

In mouse xenograft model: 100 or 125 mg/kg
Route of Administration: Other
JNJ-7706621 shows inhibitory effect on a panel of human cancer cell types, including HeLa, HCT-116, SK-OV-3, PC3, DU145, MES-SA, and MES-SA/Dx5, with IC50 of 112-514 nM. JNJ-7706621 is several-fold less potent at inhibiting growth of normal cell types, including MRC-5, HASMC, HUVEC, and HMVEC, with IC50 of 3.67-5.42 μM. In HeLa or U937 cells, JNJ-7706621 (0.5-3 μM) delays exit from G1, arrests cells in G2-M, induces endoreduplication, activates apoptosis, and reduces colony formation.
Substance Class Chemical
Created
by admin
on Sat Jun 26 09:51:57 UTC 2021
Edited
by admin
on Sat Jun 26 09:51:57 UTC 2021
Record UNII
74GK72DON8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JNJ-7706621
Common Name English
1H-1,2,4-TRIAZOLE-3,5-DIAMINE, N3-(4-(AMINOSULFONYL)PHENYL)-1-(2,6-DIFLUOROBENZOYL)- 4-((5-AMINO-1-(2,6-DIFLUOROBENZOYL)-1H-(1,2,4)TRIAZOL-3-YL)AMINO)BENZENESULFONAMIDE
Systematic Name English
JNJ-770662
Code English
AURORA KINASE/CDK INHIBITOR
Common Name English
BENZENESULFONAMIDE, 4-((5-AMINO-1-(2,6-DIFLUOROBENZOYL)-1H-1,2,4-TRIAZOL-3-YL)AMINO)-
Systematic Name English
Code System Code Type Description
FDA UNII
74GK72DON8
Created by admin on Sat Jun 26 09:51:57 UTC 2021 , Edited by admin on Sat Jun 26 09:51:57 UTC 2021
PRIMARY
CAS
443797-96-4
Created by admin on Sat Jun 26 09:51:57 UTC 2021 , Edited by admin on Sat Jun 26 09:51:57 UTC 2021
PRIMARY
PUBCHEM
5330790
Created by admin on Sat Jun 26 09:51:57 UTC 2021 , Edited by admin on Sat Jun 26 09:51:57 UTC 2021
PRIMARY
EPA CompTox
443797-96-4
Created by admin on Sat Jun 26 09:51:57 UTC 2021 , Edited by admin on Sat Jun 26 09:51:57 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
COMPETITIVE INHIBITOR
IC50
TARGET -> INHIBITOR
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY