General Information of the Compound
| Compound ID |
CP0081842
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenylsulfonyl)-2,2-dimethylthiomorpholine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
287405-51-0
3-Thiomorpholinecarboxamide,N-hydroxy-4-[[4-[(4-hydroxy-2-butyn-1-yl)oxy]phenyl]sulfonyl]-2,2-dimethyl-,(3S)-
4CA-0170
API0013699
Apratastat
Apratastat (USAN/INN)
Apratastat [USAN:INN]
Apratastat, >
BCPP000041
BDBM50181008
C6BZ5263BJ
CHEMBL206815
D08859
DB13020
Dual TACE/MMP-13 inhibitors (inflammation), Wyeth
Dual TACE/MMP-13 inhibitors (rheumatoid arthritis), Wyeth
Dual TACE/MMP-13 inhibitors, Wyeth-Ayerst
GTPL6482
MLS006010301
MolPort-021-805-014
SCHEMBL2834310
SMR004701369
TMI 005
TMI-005
TMI-05
TMI-1
TMI005
UNII-C6BZ5263BJ
ZINC28571311
compound 5h [PMID: 16426848]
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H22N2O6S2
|
||||||||||||||||||
| Molecular Weight |
414.505
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCO)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MAVDNGWEBZTACC-HNNXBMFYSA-N
|
||||||||||||||||||
| CAS |
287405-51-0
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Clinical Information about the Compound