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Details

Stereochemistry ACHIRAL
Molecular Formula C27H26N6O
Molecular Weight 450.5349
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SENEXIN B

SMILES

CN1CCN(CC1)C(=O)C2=CC3=CC=C(CCNC4=C5C=C(C=CC5=NC=N4)C#N)C=C3C=C2

InChI

InChIKey=VNADJTWHOAMTLY-UHFFFAOYSA-N
InChI=1S/C27H26N6O/c1-32-10-12-33(13-11-32)27(34)23-6-5-21-14-19(2-4-22(21)16-23)8-9-29-26-24-15-20(17-28)3-7-25(24)30-18-31-26/h2-7,14-16,18H,8-13H2,1H3,(H,29,30,31)

HIDE SMILES / InChI

Molecular Formula C27H26N6O
Molecular Weight 450.5349
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including https://www.google.com/patents/WO2014071143A1 | https://www.google.com/patents/WO2014134169A1

Senexin B is a selective CDK8/CDK19 inhibitor developed by Senex Biotechnology Inc. Senexin B is an ATP pocket binder, with very high target selectivity as indicated by kinome profiling. CDK8/19 inhibition produces chemopotentiating, chemopreventive and anti-metastatic effects in different types of cancer.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
24.0 nM [IC50]
140.0 nM [Kd]
80.0 nM [Kd]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Patents

Patents

Sample Use Guides

CB-17 SCID mice (8 weeks old) received 5 daily i.p. injections of SNX2-1-165 (40 mg/kg) or carrier only, 10 mice per group. Mice were then injected s.c. with 1 x 106 cells of human A549 lung cancer cell line; the tumor cells were injected in the afternoon of the same day when the last dose of treatment was administered in the morning. Starting from day 7 after tumor injection, mice were monitored for tumor formation twice a week, with 3-4 day intervals, until day 24 after tumor injection; tumor volumes were calculated via caliper measurements.
Route of Administration: Intraperitoneal
MDA-MB-468 and MDA-MB-157 cells were plated in 96-well plates, at 1,500 cells/well, and exposed to carrier or increasing concentrations of SNX2-1-165 (SENEXIN B) for five days; cell survival was measured by the MTT assays. MDA-MB-468 and MDA-MB-157 displayed dose-dependent growth inhibition by SNX2-1-165.
Substance Class Chemical
Created
by admin
on Sat Dec 16 14:54:01 GMT 2023
Edited
by admin
on Sat Dec 16 14:54:01 GMT 2023
Record UNII
E2X758P2BZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SENEXIN B
Common Name English
6-QUINAZOLINECARBONITRILE, 4-((2-(6-((4-METHYL-1-PIPERAZINYL)CARBONYL)-2-NAPHTHALENYL)ETHYL)AMINO)-
Systematic Name English
4-((2-(6-((4-METHYL-1-PIPERAZINYL)CARBONYL)-2-NAPHTHALENYL)ETHYL)AMINO)-6-QUINAZOLINECARBONITRILE
Systematic Name English
BCD-115
Code English
Code System Code Type Description
NCI_THESAURUS
C148166
Created by admin on Sat Dec 16 14:54:01 GMT 2023 , Edited by admin on Sat Dec 16 14:54:01 GMT 2023
PRIMARY
CAS
1449228-40-3
Created by admin on Sat Dec 16 14:54:01 GMT 2023 , Edited by admin on Sat Dec 16 14:54:01 GMT 2023
PRIMARY
FDA UNII
E2X758P2BZ
Created by admin on Sat Dec 16 14:54:01 GMT 2023 , Edited by admin on Sat Dec 16 14:54:01 GMT 2023
PRIMARY
PUBCHEM
71661259
Created by admin on Sat Dec 16 14:54:01 GMT 2023 , Edited by admin on Sat Dec 16 14:54:01 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY