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Home Other Building Blocks 287403-39-8
287403-39-8,MFCD09027399
Catalog No.:AA01ENHV

287403-39-8 | (3S)-4-[[4-(2-Butyn-1-yloxy)phenyl]sulfonyl]-N-hydroxy-2,2-dimethyl-3-thiomorpholinecarboxamide

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5mg
≥98%
in stock  
$219.00   $153.00
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10mg
≥98%
in stock  
$393.00   $275.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01ENHV
Chemical Name:
(3S)-4-[[4-(2-Butyn-1-yloxy)phenyl]sulfonyl]-N-hydroxy-2,2-dimethyl-3-thiomorpholinecarboxamide
CAS Number:
287403-39-8
Molecular Formula:
C17H22N2O5S2
Molecular Weight:
398.4970
MDL Number:
MFCD09027399
SMILES:
ONC(=O)[C@@H]1N(CCSC1(C)C)S(=O)(=O)c1ccc(cc1)OCC#CC
Properties
Computed Properties
 
Complexity:
666  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
1.6  

Literature

Title: Tumor selective cytotoxic action of a thiomorpholin hydroxamate inhibitor (TMI-1) in breast cancer.

Journal: PloS one 20120101

Title: Pharmacokinetic-pharmacodynamic modeling of apratastat: a population-based approach.

Journal: Journal of clinical pharmacology 20110401

Title: Current perspective of TACE inhibitors: a review.

Journal: Bioorganic & medicinal chemistry 20090115

Title: Inhibitors of tumor progression loci-2 (Tpl2) kinase and tumor necrosis factor alpha (TNF-alpha) production: selectivity and in vivo antiinflammatory activity of novel 8-substituted-4-anilino-6-aminoquinoline-3-carbonitriles.

Journal: Journal of medicinal chemistry 20070920

Title: Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket.

Journal: Bioorganic & medicinal chemistry 20070915

Title: Fluorescent substrates for the proteinases ADAM17, ADAM10, ADAM8, and ADAM12 useful for high-throughput inhibitor screening.

Journal: Analytical biochemistry 20070715

Title: Drug evaluation: apratastat, a novel TACE/MMP inhibitor for rheumatoid arthritis.

Journal: Current opinion in investigational drugs (London, England : 2000) 20061101

Title: Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates.

Journal: Bioorganic & medicinal chemistry letters 20060315

Title: Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates.

Journal: Bioorganic & medicinal chemistry letters 20051001

Title: Synthesis and structure-activity relationships of 4-alkynyloxy phenyl sulfanyl, sulfinyl, and sulfonyl alkyl hydroxamates as tumor necrosis factor-alpha converting enzyme and matrix metalloproteinase inhibitors.

Journal: Journal of medicinal chemistry 20041202

Title: Tumor necrosis factor-alpha-converting enzyme (ADAM17) mediates GPIbalpha shedding from platelets in vitro and in vivo.

Journal: Circulation research 20041001

Title: Identification and characterization of 4-[[4-(2-butynyloxy)phenyl]sulfonyl]-N-hydroxy-2,2-dimethyl-(3S)thiomorpholinecarboxamide (TMI-1), a novel dual tumor necrosis factor-alpha-converting enzyme/matrix metalloprotease inhibitor for the treatment of rheumatoid arthritis.

Journal: The Journal of pharmacology and experimental therapeutics 20040401

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Tags:287403-39-8 Molecular Formula|287403-39-8 MDL|287403-39-8 SMILES|287403-39-8 (3S)-4-[[4-(2-Butyn-1-yloxy)phenyl]sulfonyl]-N-hydroxy-2,2-dimethyl-3-thiomorpholinecarboxamide