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JMI-346

CAT: 0013-GTR19187517-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187517-01Size:25 mg
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Description
JMI-346 is a small molecule inhibitor of Plasmodium falciparum falcipain-2 (PfFP-2) protease, exhibiting anti-malarial activity against both chloroquine-sensitive (3D7, IC50 13 μM) and chloroquine-resistant (RKL-9, IC50 33 μM) strains in vitro. It serves as a valuable chemical probe for studying cysteine protease function in malaria parasite biology and for antimalarial drug discovery research.
CAS Number
2091841-46-0
Field of Research
Infectious Disease & Virology
Smiles
C (OC ([C@H] (CC1=CC=CC=C1) N) =O) C2=CN (N=N2) C3=CC=C (C) C=C3
Molecular Formula
C19H20N4O2
Molecular Weight
336.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 137642986
CAS Number2091841-46-0
PubChem CID137642986
IUPAC Name[1-(4-methylphenyl)triazol-4-yl]methyl (2S)-2-amino-3-phenylpropanoate
Molecular FormulaC19H20N4O2
Molecular Weight336.4
XLogP2.5
Topological Polar Surface Area83
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity420
SMILES
CC1=CC=C(C=C1)N2C=C(N=N2)COC(=O)[C@H](CC3=CC=CC=C3)N
InChI
InChI=1S/C19H20N4O2/c1-14-7-9-17(10-8-14)23-12-16(21-22-23)13-25-19(24)18(20)11-15-5-3-2-4-6-15/h2-10,12,18H,11,13,20H2,1H3/t18-/m0/s1
InChIKey
TZQPUBNRMQNCDV-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of CID 137642986
CAS: 2091841-46-0
CID: 137642986
Formula: C19H20N4O2
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass336.15862589
Monoisotopic Mass336.15862589
Topological Polar Surface Area83 Ų
Heavy Atom Count25
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5803769JMI-105
ZTA43265-01FAUC-346
T70546-01HI-346
T9081-01FAUC 346
MBS131175-01ML-346
bs-60414C-01ATB-346
M12632-01CM 346
MBS3600871-01ATB 346

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