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TMI-1

CAT: 1410-M34449-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M34449-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TMI-1 (WAY-171318), a novel orally active inhibitor of ADAM17 (TACE) and MMP, induces tumor apoptosis in a breast cancer.
CAS Number
287403-39-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
398.5
Molecular Formula
C17H22N2O5S2
Notes
Research use only, not for human use.
Receptor
Apoptosis | MMP

Chemical Information

(3S)-4-{[4-(But-2-ynyloxy)phenyl]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
CAS Number287403-39-8
PubChem CID5288615
IUPAC Name(3S)-4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
Molecular FormulaC17H22N2O5S2
Molecular Weight398.5
XLogP1.6
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity666
SMILES
CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC([C@@H]2C(=O)NO)(C)C
InChI
InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKey
CVZIHNYAZLXRRS-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of (3S)-4-{[4-(But-2-ynyloxy)phenyl]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
CAS: 287403-39-8
CID: 5288615
Formula: C17H22N2O5S2
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass398.09701415
Monoisotopic Mass398.09701415
Topological Polar Surface Area130 Ų
Heavy Atom Count26
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MLA40339TMI-1
A17212-50TMI-1 50mg
A17212-25TMI-1 25mg
A17212-5TMI-1 5mg
A17212-10TMI-1 10mg
A17212-1TMI-1 1mg
HY-101448RTMI-1 (Standard)
A17212-100TMI-1 100mg
5960/10TMI 1 10 mg
5960/50TMI 1 50 mg

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