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RXP03

CAT: 0013-GTR19234679-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234679-01Size:25 mg
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Description
RXP03 is a potent small molecule inhibitor of matrix metalloproteinases (MMPs), exhibiting sub-nanomolar to nanomolar affinity with Ki values ranging from 2.5 nM for MMP-8 to 105 nM for MMP-14. This inhibitor is a valuable research tool for studying MMP-related pathologies, including cancer metastasis and inflammatory diseases, in both cellular and animal models.
CAS Number
284667-65-8
Field of Research
Protein Biochemistry
Smiles
C ([C@H] (NC ([C@@H] (CP ([C@H] (CC1=CC=CC=C1) NC (OCC2=CC=CC=C2) =O) (=O) O) CCCC3=CC=CC=C3) =O) C (N) =O) C=4C=5C (NC4) =CC=CC5
Molecular Formula
C39H43N4O6P
Molecular Weight
694.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(2S)-2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-5-phenylpentyl]-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CAS Number284667-65-8
PubChem CID102376687
IUPAC Name[(2S)-2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-5-phenylpentyl]-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
Molecular FormulaC39H43N4O6P
Molecular Weight694.8
XLogP5.4
Topological Polar Surface Area164
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count18
Heavy Atom Count50
Formal Charge0
Complexity1120
SMILES
C1=CC=C(C=C1)CCC[C@H](CP(=O)([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N
InChI
InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31-,35+,36-/m1/s1
InChIKey
YQEMFOGNUTYMTJ-KZCKAYRVSA-N
Chemical Structure
2D Structure
2D structure of [(2S)-2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-5-phenylpentyl]-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CAS: 284667-65-8
CID: 102376687
Formula: C39H43N4O6P
MW: 694.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight694.8
XLogP35.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count18
Exact Mass694.29202210
Monoisotopic Mass694.29202210
Topological Polar Surface Area164 Ų
Heavy Atom Count50
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-162038-01RXP03

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