Compound Summary
957054-30-7
Compound Information
957054-30-7
Compound Name: | 957054-30-7 |
Compound CID: | 17755052 |
Synonyms: | 957054-30-7 GDC-0941 PICTILISIB Pictrelisib GDC0941 More... |
Iupac Name: | 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine |
InChI: | InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) |
InChIKey: | LHNIIDJUOCFXAP-UHFFFAOYSA-N |
Canonical Smiles: | CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6 |
Isomeric Smiles: | CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6 |
Molecular Weight: | 513.6 |
Molecular Formula: | C23H27N7O3S2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
957054-30-7
Molecular Weight: | 513.6 |
Molecular Formula: | C23H27N7O3S2 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 10 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 35 |
Complexity: | 832 |
Synonyms
957054-30-7
| 957054-30-7 | 957054-30-7 |
|---|---|
957054-30-7 |
GDC-0941 |
PICTILISIB |
Pictrelisib |
GDC0941 |
GDC 0941 |
4-(2-(1H-Indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno3,2-dpyrimidin-4-yl)morpholine |
2-(1H-Indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-yl-thieno3,2-dpyrimidine |
UNII-ICY00EMP8P |
GDC-0941 (Pictilisib) |
ICY00EMP8P |
Pictilisib (GDC-0941) |
4-2-(1H-indazol-4-yl)-6-(4-methylsulfonylpiperazin-1-yl)methylthieno3,2-dpyrimidin-4-ylmorpholine |
CHEBI:65326 |
957054-30-7 (free base) |
RG7321 |
2-(1H-Indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno3,2-dpyrimidine |
C23H27N7O3S2 |
2-(1H-indazol-4-yl)-6-{4-(methylsulfonyl)piperazin-1-ylmethyl}-4-(morpholin-4-yl)thieno3,2-dpyrimidine |
2-(1h-Indazol-4-Yl)-6-{4-(Methylsulfonyl)piperazin-1-Ylmethyl}-4-Morpholin-4-Yl-Thieno3,2-Dpyrimidine |
4-(2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno(3,2-d)pyrimidin-4-yl)morpholine |
GD9 |
Pictilisib USAN:INN |
Pictilisib (USAN) |
Kinome_3719 |
GDC0941(Pictilisib) |
957054-50-1 |
Pictilisib; GDC-0941 |
cc-29 |
2-(1H-Indazol-4-yl)-6-4-(methylsulfonyl)-1-piperazinylmethyl-4-(4-morpholinyl)thieno3,2-dpyrimidine |
MLS006010057 |
SCHEMBL190812 |
CHEMBL521851 |
GTPL5682 |
BDBM25028 |
DTXSID40241930 |
EX-A167 |
SYN1041 |
HMS2043A16 |
HMS3244H06 |
HMS3244H10 |
HMS3244H14 |
HMS3265I05 |
HMS3265I06 |
HMS3265J05 |
HMS3265J06 |
HMS3654K13 |
HMS3744A19 |
AOB87310 |
BCP01714 |
CDC-0941 |
EX-A1536 |
GNE 0941 |
MFCD11616196 |
NSC755385 |
NSC800852 |
s1065 |
ZINC16052714 |
AKOS015966503 |
BCP9000715 |
CCG-264801 |
CS-0081 |
DB11663 |
NSC-755385 |
NSC-800852 |
QC-4780 |
RG-7321 |
SB19941 |
NCGC00187482-01 |
NCGC00187482-03 |
NCGC00187482-10 |
2-(1H-indazol-4-yl)-6-((4-(methanesulfonyl)piperazin-1-yl)methyl)-4-(morpholin-4-yl)thieno(3,2-d)pyrimidine |
AC-32623 |
AS-19377 |
HY-50094 |
SMR004701219 |
AB0033712 |
FT-0696889 |
SW202556-4 |
X7409 |
EC-000.2335 |
D10189 |
054G307 |
A845396 |
J-513238 |
BRD-K52911425-001-02-3 |
Q27088388 |
C532162000 |
2-(1H-indazol-4-yl)-6-{4-(methylsulfonyl)piperazin-1-ylmethyl}-4-morpholin-4-ylthieno3,2-dpyrimidine |
4-2-(1H-indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-yl)methylthieno3,2-dpyrimidin-4-ylmorpholine |
4-2-(1H-indazol-4-yl)-6-(4-methylsulfonyl-1-piperazinyl)methyl-4-thieno3,2-dpyrimidinylmorpholine |
Thieno3,2-dpyrimidine,2-(1H-indazol-4-yl)-6-4-(methylsulfonyl)-1-piperazinylmethyl-4-(4-morpholinyl)- |
Experimental Data
957054-30-7
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 1.000000000000000 | umol/L | 10.000000000000000 | S | N2 | 23543623 | Active | ||||||
| Caenorhabditis elegans | 1.000000000000000 | umol/L | 9.600000000000000 | S | N2 | 23543623 | Active |
Experimental Data Visualization
957054-30-7
Statistics Data
957054-30-7
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 10.000000000000000 | 1 | 2 |
Statistics Data Visualization
957054-30-7
