TAPI-0 (TNF alpha processing inhibitor-0), Matrix metalloprotease (MMP) and TACE inhibitor

Key facts

CAS number

143457-40-3

Purity

>95%

Form

Solid

form

Molecular weight

456.5 Da

Molecular formula

C₂₄H₃₂N₄O₅

PubChem

3035404

Nature

Synthetic

Solubility

Soluble in DMSO to 10 mM

Soluble in acetic acid to 10 mM

Biochemical name

N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

Biological description

Inhibits TNF-α processing. Also a general matrix metalloprotease and TACE inhibitor.

Canonical smiles

CC(C)CC(CC(=O)NO)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(C)C(=O)N

Isomeric smiles

C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)C(CC(C)C)CC(=O)NO

InChi

InChI=1S/C24H32N4O5/c1-14(2)10-19(13-21(29)28-33)23(31)27-20(24(32)26-15(3)22(25)30)12-16-8-9-17-6-4-5-7-18(17)11-16/h4-9,11,14-15,19-20,33H,10,12-13H2,1-3H3,(H2,25,30)(H,26,32)(H,27,31)(H,28,29)/t15-,19?,20-/m0/s1

InChiKey

CRCPLBFLOSEABN-VBSNWNEZSA-N

IUPAC Name

N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide