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TAPI-0

CAT: 0013-GTR19209406-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209406-01Size:25 mg
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Description
TAPI-0 is a dual inhibitor targeting matrix metalloproteinases (MMPs) and TACE (TNF-α converting enzyme) . It is utilized in vitro and in vivo to study inflammatory processes, cancer metastasis, and TNF-α mediated signaling pathways.
CAS Number
143457-40-3
Field of Research
Protein Biochemistry
Smiles
C ([C@H] (NC (C (CC (NO) =O) CC (C) C) =O) C (N[C@H] (C (N) =O) C) =O) C1=CC2=C (C=C1) C=CC=C2
Molecular Formula
C24H32N4O5
Molecular Weight
456.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

TAPI (inhibitor)
CAS Number143457-40-3
PubChem CID3035404
IUPAC NameN-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
Molecular FormulaC24H32N4O5
Molecular Weight456.5
XLogP1.9
Topological Polar Surface Area151
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity698
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
Chemical Structure
2D Structure
2D structure of TAPI (inhibitor)
CAS: 143457-40-3
CID: 3035404
Formula: C24H32N4O5
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP31.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass456.23727013
Monoisotopic Mass456.23727013
Topological Polar Surface Area151 Ų
Heavy Atom Count33
Formal Charge0
Complexity698
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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