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MI-1904

CAT: 0013-GTR19237853-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237853-01Size:50 mg
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Description
MI-1904 is a small molecule inhibitor of matriptase/TMPRSS2, which blocks influenza virus entry and replication by preventing cleavage of viral hemagglutinin. It has demonstrated antiviral activity against H1N1 and H9N2 strains in vitro, making it a useful research tool for studying host protease-dependent viral pathogenesis.
CAS Number
3033379-90-4
Smiles
S (N[C@@H] (CC1=CC (C (=N) N) =CC=C1) C (=O) N2CCC (NC (NC (C) (C) C) =O) CC2) (=O) (=O) C=3C=C (C=CC3) C4=CC (F) =C (CO) C=C4
Molecular Formula
C33H41FN6O5S
Molecular Weight
652.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea
CAS Number3033379-90-4
PubChem CID154815568
IUPAC Name1-tert-butyl-3-[1-[(2S)-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoro-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea
Molecular FormulaC33H41FN6O5S
Molecular Weight652.8
XLogP2.9
Topological Polar Surface Area186
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count46
Formal Charge0
Complexity1150
SMILES
CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)[C@H](CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=CC=CC(=C3)C4=CC(=C(C=C4)CO)F
InChI
InChI=1S/C33H41FN6O5S/c1-33(2,3)38-32(43)37-26-12-14-40(15-13-26)31(42)29(17-21-6-4-8-24(16-21)30(35)36)39-46(44,45)27-9-5-7-22(18-27)23-10-11-25(20-41)28(34)19-23/h4-11,16,18-19,26,29,39,41H,12-15,17,20H2,1-3H3,(H3,35,36)(H2,37,38,43)/t29-/m0/s1
InChIKey
FQLCVDCDDCIBQS-LJAQVGFWSA-N
Chemical Structure
2D Structure
2D structure of 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea
CAS: 3033379-90-4
CID: 154815568
Formula: C33H41FN6O5S
MW: 652.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight652.8
XLogP32.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass652.28431777
Monoisotopic Mass652.28431777
Topological Polar Surface Area186 Ų
Heavy Atom Count46
Formal Charge0
Complexity1150
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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