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TNF Protease Inhibitor 2

CAT: 0931-TQ0129-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TQ0129-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
187034-31-7
Target
SARS-CoV, MMP
Related Pathways
Microbiology/Virology, Proteases/Proteasome
Bioactivity
TAPI-2 is a broad-spectrum inhibitor of MMP (IC50: 20 μM), tumour necrosis factorα-converting enzyme (TACE) and a disintegrin and metalloproteinase (ADAM) .
Smiles
CC(C)CC(CC(=O)NO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCCN)C(C)(C)C
Molecular Formula
C19H37N5O5
Molecular Weight
415.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N1-((S)-1-(((S)-1-((2-aminoethyl)amino)-1-oxopropan-2-yl)amino)-3,3-dimethyl-1-oxobutan-2-yl)-N4-hydroxy-2-isobutylsuccinamide

N-[2-[2-(Hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide Acetic Acid is a dipeptide.

CAS Number187034-31-7
PubChem CID10093303
IUPAC NameN-[(2S)-1-[[(2S)-1-(2-aminoethylamino)-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
Molecular FormulaC19H37N5O5
Molecular Weight415.5
XLogP-0.1
Topological Polar Surface Area163
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count29
Formal Charge0
Complexity574
SMILES
C[C@@H](C(=O)NCCN)NC(=O)[C@H](C(C)(C)C)NC(=O)C(CC(C)C)CC(=O)NO
InChI
InChI=1S/C19H37N5O5/c1-11(2)9-13(10-14(25)24-29)17(27)23-15(19(4,5)6)18(28)22-12(3)16(26)21-8-7-20/h11-13,15,29H,7-10,20H2,1-6H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)/t12-,13?,15+/m0/s1
InChIKey
LMIQCBIEAHJAMZ-RMTCENKZSA-N
Chemical Structure
2D Structure
2D structure of N1-((S)-1-(((S)-1-((2-aminoethyl)amino)-1-oxopropan-2-yl)amino)-3,3-dimethyl-1-oxobutan-2-yl)-N4-hydroxy-2-isobutylsuccinamide
CAS: 187034-31-7
CID: 10093303
Formula: C19H37N5O5
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP3-0.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass415.27946930
Monoisotopic Mass415.27946930
Topological Polar Surface Area163 Ų
Heavy Atom Count29
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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