RXP03

CAT: 0804-HY-162038-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-162038-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

RXP03 is a MMPs inhibitor with the Ki of 20 nM, 2.5 nM, 10 nM, 5nM and 105 nM for MMP-2, MMP-8, MMP-9, MMP-11, MMP-14, respectively[1].

CAS Number

284667-65-8

UNSPSC

12352005

Target

MMP

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

Metabolism-protein/nucleotide metabolism

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/rxp03.html

Purity

98.82

Solubility

DMSO : 25 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

OP([C@H](CC1=CC=CC=C1)NC(OCC2=CC=CC=C2)=O)(C[C@@H](CCCC3=CC=CC=C3)C(N[C@@H](CC4=CNC5=C4C=CC=C5)C(N)=O)=O)=O

Molecular Formula

C39H43N4O6P

Molecular Weight

694.76

References & Citations

[1]Abdou MM, et al. Novel glycosyl prodrug of RXP03 as MMP-11 prodrug: design, synthesis and virtual screening. BMC Chem. 2023;17 (1) :167. Published 2023 Nov 25.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

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 Number	284667-65-8
PubChem CID	102376687
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 Formula	C39H43N4O6P
Molecular Weight	694.8
XLogP	5.4
Topological Polar Surface Area	164
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	18
Heavy Atom Count	50
Formal Charge	0
Complexity	1120

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

CAS: 284667-65-8

CID: 102376687

Formula: C39H43N4O6P

MW: 694.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	694.8
XLogP3	5.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	18
Exact Mass	694.29202210
Monoisotopic Mass	694.29202210
Topological Polar Surface Area	164 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	1120
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19234679-01	RXP03

RXP03

Chemical Information

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