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MM3122

CAT: 0013-GTR19171851-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171851-02Size:5 mg
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Description
MM3122 is a potent and selective TMPRSS2 inhibitor with an IC50 of 0.34 nM. It blocks viral entry of SARS-CoV-2 and MERS-CoV into host cells in vitro, making it a valuable research tool for studying coronavirus pathogenesis and host-directed antiviral strategies.
CAS Number
2574390-27-3
Product Name Alternative
GTPL 11533, GTPL11533, GTPL-11533, MM3122, MM-3122, MM 3122, Ac-GQFR-kbt, SARS-CoV, SARSCoV
Field of Research
Infectious Disease & Virology
Purity
99.83% (May vary between batches)
Solubility
DMSO:90 mg/mL (135.18 mM)
Smiles
C ([C@@H] (NC ([C@H] (CC1=CC=CC=C1) NC ([C@@H] (NC (CNC (C) =O) =O) CCC (N) =O) =O) =O) CCCNC (=N) N) (=O) C2=NC=3C (S2) =CC=CC3
Molecular Formula
C31H39N9O6S
Molecular Weight
665.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ac-GQFR-kbt

unrelated to MM121

CAS Number2574390-27-3
PubChem CID155925845
IUPAC Name(2S)-2-[(2-acetamidoacetyl)amino]-N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanediamide
Molecular FormulaC31H39N9O6S
Molecular Weight665.8
XLogP0.2
Topological Polar Surface Area282
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Heavy Atom Count47
Formal Charge0
Complexity1140
SMILES
CC(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C31H39N9O6S/c1-18(41)36-17-26(43)37-22(13-14-25(32)42)28(45)39-23(16-19-8-3-2-4-9-19)29(46)38-21(11-7-15-35-31(33)34)27(44)30-40-20-10-5-6-12-24(20)47-30/h2-6,8-10,12,21-23H,7,11,13-17H2,1H3,(H2,32,42)(H,36,41)(H,37,43)(H,38,46)(H,39,45)(H4,33,34,35)/t21-,22-,23-/m0/s1
InChIKey
ZEPMYXYJCBQSLH-VABKMULXSA-N
Chemical Structure
2D Structure
2D structure of Ac-GQFR-kbt
CAS: 2574390-27-3
CID: 155925845
Formula: C31H39N9O6S
MW: 665.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight665.8
XLogP30.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Exact Mass665.27440117
Monoisotopic Mass665.27440117
Topological Polar Surface Area282 Ų
Heavy Atom Count47
Formal Charge0
Complexity1140
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
T60085-01MM3122

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