Details
Stereochemistry | ACHIRAL |
Molecular Formula | C27H29N5O10P2.2Na |
Molecular Weight | 691.4737 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].OC(CCCNC(=O)OCCOC1=CC2=C(C=C1)C(=CC=N2)C3=C4CCCN4N=C3C5=CC=CC=N5)(P(O)([O-])=O)P(O)([O-])=O
InChI
InChIKey=IKEUSVFBVRJGMG-UHFFFAOYSA-L
InChI=1S/C27H31N5O10P2.2Na/c33-26(30-12-4-10-27(34,43(35,36)37)44(38,39)40)42-16-15-41-18-7-8-19-20(9-13-29-22(19)17-18)24-23-6-3-14-32(23)31-25(24)21-5-1-2-11-28-21;;/h1-2,5,7-9,11,13,17,34H,3-4,6,10,12,14-16H2,(H,30,33)(H2,35,36,37)(H2,38,39,40);;/q;2*+1/p-2
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C27H29N5O10P2 |
Molecular Weight | 645.4942 |
Charge | -2 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/18314943
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18314943
TGF-B-recpotor inhibitor (dihydropyrrolopyrazole, 13) is one of the series of optimized, bioavailable dihydropyrrolopyrazole TGF-beta receptor type I inhibitors synthesized at Ely Lilly and is an investigational antitumor agent.
Originator
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18314943
Curator's Comment: # Eli Lilly
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: P36897 Gene ID: 7046.0 Gene Symbol: TGFBR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/18314943 |
160.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
PubMed
Title | Date | PubMed |
---|---|---|
Synthesis and activity of new aryl- and heteroaryl-substituted 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole inhibitors of the transforming growth factor-beta type I receptor kinase domain. | 2004 Jul 5 |
|
Optimization of a dihydropyrrolopyrazole series of transforming growth factor-beta type I receptor kinase domain inhibitors: discovery of an orally bioavailable transforming growth factor-beta receptor type I inhibitor as antitumor agent. | 2008 Apr 10 |
Sample Use Guides
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18314943
Antiproliferative activity against mouse NIH3T3 cells by [3H]thymidine assay of TGF-B-recpotor inhibitor (compound 13) had IC50 of 420±410 nM. EC50 of 200±73 nM value was obtained from luciferase reporter assay in mink mink lung epithelial Mv1Lu p3TP-Lux stable transfectants.
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:14:38 GMT 2023
by
admin
on
Sat Dec 16 19:14:38 GMT 2023
|
Record UNII |
UK2SRR5EMV
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Code | English | ||
|
Systematic Name | English | ||
|
Code | English |
Classification Tree | Code System | Code | ||
---|---|---|---|---|
|
FDA ORPHAN DRUG |
898222
Created by
admin on Sat Dec 16 19:14:38 GMT 2023 , Edited by admin on Sat Dec 16 19:14:38 GMT 2023
|
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
166177228
Created by
admin on Sat Dec 16 19:14:38 GMT 2023 , Edited by admin on Sat Dec 16 19:14:38 GMT 2023
|
PRIMARY | |||
|
UK2SRR5EMV
Created by
admin on Sat Dec 16 19:14:38 GMT 2023 , Edited by admin on Sat Dec 16 19:14:38 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
|
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |
|