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Details

Stereochemistry ACHIRAL
Molecular Formula C24H25N5O3S
Molecular Weight 463.552
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BERZOSERTIB

SMILES

CNCC1=CC=C(C=C1)C2=NOC(=C2)C3=C(N)N=CC(=N3)C4=CC=C(C=C4)S(=O)(=O)C(C)C

InChI

InChIKey=JZCWLJDSIRUGIN-UHFFFAOYSA-N
InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)

HIDE SMILES / InChI

Description

VX-970 (VE-822) is an ATR kinase inhibitor. VE-822 decreased maintenance of cell-cycle checkpoints, increased persistent DNA damage and decreased homologous recombination in irradiated cancer cells. Vertex Pharmaceuticals is developing VX 970 for the treatment of advanced solid tumours. Phase I/II development is underway in the US for small-cell lung cancer and in the UK for solid tumours. Phase II development of VX 970 as a combination therapy in urogenital cancer, ovarian, primary peritoneal and fallopian tube cancer indications is underway in the US.

Originator

Approval Year

PubMed

PubMed

TitleDatePubMed
Targeting ATR in vivo using the novel inhibitor VE-822 results in selective sensitization of pancreatic tumors to radiation.
2012 Dec 6
Potentiation of tumor responses to DNA damaging therapy by the selective ATR inhibitor VX-970.
2014 Jul 30
Drugging ATR: progress in the development of specific inhibitors for the treatment of cancer.
2015
Patents

Sample Use Guides

In Vivo Use Guide
Intravenous VX-970 (VE-822) is in clinical trials for the treatment of cancer, however dosage is not known. VX-970 (VE-822) (30-60 mg/kg) was administered by oral gavage in mouse cancer xenograft models.
Route of Administration: intravenous, oral
In Vitro Use Guide
80 nM VX-970 (VE-822) attenuates ATR signaling in normal cells without enhancing radiation and gemcitabine killing in normal cells.
Name Type Language
BERZOSERTIB
USAN   INN  
Official Name English
3-(3-(4-((METHYLAMINO)METHYL)PHENYL)-1,2-OXAZOL-5-YL)-5-(4-(PROPANE-2-SULFONYL)PHENYL)PYRAZIN-2-AMINE
Systematic Name English
M6620
Code English
2-PYRAZINAMINE, 3-(3-(4-((METHYLAMINO)METHYL)PHENYL)-5-ISOXAZOLYL)-5-(4-((1-METHYLETHYL)SULFONYL)PHENYL)-
Systematic Name English
VX970
Code English
BERZOSERTIB [USAN]
Common Name English
BERZOSERTIB [WHO-DD]
Common Name English
M-6620
Code English
BERZOSERTIB [INN]
Common Name English
VE-822
Code English
VX-970
Code English
Code System Code Type Description
ChEMBL
CHEMBL3545202
Created by admin on Mon Oct 21 22:39:03 UTC 2019 , Edited by admin on Mon Oct 21 22:39:03 UTC 2019
PRIMARY
CAS
1232416-25-9
Created by admin on Mon Oct 21 22:39:03 UTC 2019 , Edited by admin on Mon Oct 21 22:39:03 UTC 2019
PRIMARY
INN
10538
Created by admin on Mon Oct 21 22:39:03 UTC 2019 , Edited by admin on Mon Oct 21 22:39:03 UTC 2019
PRIMARY
INCB IDS CODE
10538
Created by admin on Mon Oct 21 22:39:03 UTC 2019 , Edited by admin on Mon Oct 21 22:39:03 UTC 2019
PRIMARY
PUBCHEM
59472121
Created by admin on Mon Oct 21 22:39:03 UTC 2019 , Edited by admin on Mon Oct 21 22:39:03 UTC 2019
PRIMARY