N-{(2r)-2-[2-(Hydroxyamino)-2-Oxoethyl]-4-Methylpentanoyl}-3-Methyl-L-Valyl-N-(2-Aminoethyl)-L-Alaninamide

HCID 444587CAS 689284-12-6
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCCN)C(C)(C)C
InChIKey
LMUSZKBIFGOFBD-RAFLFFCLSA-N
Molecular formula
C19H37N5O5
Average molar mass
415.5 g/mol

Names & identifiers

Preferred name
N-{(2r)-2-[2-(Hydroxyamino)-2-Oxoethyl]-4-Methylpentanoyl}-3-Methyl-L-Valyl-N-(2-Aminoethyl)-L-Alaninamide
IUPAC
(2R)-N-[(2S)-1-[[(2S)-1-(2-aminoethylamino)-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
English name
Tumor necrosis factor-α protease inhibitor-2, TNF-α protease inhibitor-2
Molecular formula
C19H37N5O5
Molecular weight
415.53

Names & synonyms

689284-12-6TAPI 2N-{(2r)-2-[2-(Hydroxyamino)-2-Oxoethyl]-4-Methylpentanoyl}-3-Methyl-L-Valyl-N-(2-Aminoethyl)-L-Alaninamide(R)-TAPI-2(2R)-N-[(2S)-1-[[(2S)-1-(2-aminoethylamino)-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide(R)-N1-((S)-1-(((S)-1-((2-Aminoethyl)amino)-1-oxopropan-2-yl)amino)-3,3-dimethyl-1-oxobutan-2-yl)-N4-hydroxy-2-isobutylsuccinamideTNF Protease Inhibitor 2TAPI2orb1679245SCHEMBL1847206EX-A14622TP2108
Show more names
TAPI-2 acetate saltTumor necrosis factor-α protease inhibitor-2, TNF-α protease inhibitor-2N-(R)-(2-(Hydroxyaminocarbonyl)methyl)-4-methylpentanoyl-L-t-butyl-glycine-L-alanine 2-aminoethyl amideN-[(2R)-2-[2-(Hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamideL-Alaninamide, N-[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]-3-methyl-L-valyl-N-(2-aminoethyl)-
AKOS032962853HY-100211ANCGC00485671-01DA-58276PD080359Q27461485

Database identifiers

CAS
689284-12-6
PubChem CID
444587
Nikkaji
J1.807.620I

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
163 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
29

Physicochemical properties

storage temp.
-20 °C · -20°C
form
lyophilized solid
color
white to off-white
InChIKey
LMUSZKBIFGOFBD-RAFLFFCLSA-N
SMILES
CC(O)=O.CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCCN)C(C)(C)C
UNSPSC Code
12352200 · 12352200

Safety & regulation

Safety data

wgk
3
Storage Class
11 - Combustible Solids

Chemistry & industry

Applications

UsesTAPI 2 is a matrix metalloprotease (MMP) inhibitor, which inhibits merpin α and β homo-oligomers.

Suppliers7 total

Aladdin Scientific[email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

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