Products for Research Use Only
RegisterLogin

Plm IV inhibitor-2

CAT: 0804-HY-148035Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-148035Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Plm IV inhibitor-2 (compound 3) is a potent digestive vacuole plasmepsins IV (Plm IV) inhibitor with IC50 values of 24 nM, 70 nM and 0.3 μM for Plm IV, II and I, respectively. Plm IV inhibitor-2 can be used to research malaria caused by Plasmodium parasites[1].
CAS Number
1539276-38-4
UNSPSC
12352005
Target
Parasite
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/plm-iv-inhibitor-2.html
Solubility
10 mM in DMSO
Smiles
CCCN(CCC)C(C1=CC(C(N[C@H]([C@H](O)CNC(C)(C2=CC(OC)=CC=C2)C)CC3=CC=CC=C3)=O)=CC(N4CCCCC4)=C1)=O
Molecular Formula
C39H54N4O4
Molecular Weight
642.87
References & Citations
[1]Jaudzems K, et al. Plasmepsin inhibitory activity and structure-guided optimization of a potent hydroxyethylamine-based antimalarial hit. ACS Med Chem Lett. 2014 Jan 13;5 (4) :373-7.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Plasmodium

Chemical Information

Plm IV inhibitor-2
CAS Number1539276-38-4
PubChem CID86288475
IUPAC Name1-N-[(2S,3R)-3-hydroxy-4-[2-(3-methoxyphenyl)propan-2-ylamino]-1-phenylbutan-2-yl]-5-piperidin-1-yl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
Molecular FormulaC39H54N4O4
Molecular Weight642.9
XLogP6.4
Topological Polar Surface Area94.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Heavy Atom Count47
Formal Charge0
Complexity928
SMILES
CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNC(C)(C)C3=CC(=CC=C3)OC)O)N4CCCCC4
InChI
InChI=1S/C39H54N4O4/c1-6-19-43(20-7-2)38(46)31-24-30(25-33(26-31)42-21-12-9-13-22-42)37(45)41-35(23-29-15-10-8-11-16-29)36(44)28-40-39(3,4)32-17-14-18-34(27-32)47-5/h8,10-11,14-18,24-27,35-36,40,44H,6-7,9,12-13,19-23,28H2,1-5H3,(H,41,45)/t35-,36+/m0/s1
InChIKey
YKGWCOPGFKGNGN-MPQUPPDSSA-N
Chemical Structure
2D Structure
2D structure of Plm IV inhibitor-2
CAS: 1539276-38-4
CID: 86288475
Formula: C39H54N4O4
MW: 642.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight642.9
XLogP36.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Exact Mass642.41450622
Monoisotopic Mass642.41450622
Topological Polar Surface Area94.1 Ų
Heavy Atom Count47
Formal Charge0
Complexity928
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-148034Plm IV inhibitor-1
HY-115991Topoisomerase IV inhibitor 2
HY-14971AAKT inhibitor IV
HY-112478-01PTP Inhibitor IV
HY-10133-01β-Secretase Inhibitor IV
HY-149539PLM-101
HY-112455-01CFMS Receptor Inhibitor IV
HY-115990Topoisomerase IV inhibitor 1
HY-14971-01(E) -Akt inhibitor-IV
HY-10133Rβ-Secretase Inhibitor IV (Standard)

Alternative Products

CatalogName
T79811-01DDR1/2 inhibitor-2
GTR19166157-01ERK1/2 inhibitor 2
493908TIMP2 (Metalloproteinase Inhibitor 2, Tissue Inhibitor of Metalloproteinase 2)
493907TIMP2 (Metallopeptidase Inhibitor 2, TIMP Metallopeptidase Inhibitor 2)
GTR19203660-01Lck inhibitor 2
NPC19199-01Atr inhibitor 2
MMA90462-01Thrombin inhibitor 2
DMB33330-01IRAK inhibitor 2
T207238-01DDR Inhibitor 2
T205299-01TACC3 inhibitor 2

Popular Products