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K777

CAT: 0013-GTR19203722-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203722-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
K777 is a potent, orally available irreversible cysteine protease inhibitor targeting cruzain and cathepsins B/L. It also inhibits CYP3A4 and CCR4, and it blocks the cellular entry of pseudoviruses like EBOV and SARS-CoV in vitro, supporting research in parasitology and virology.
CAS Number
233277-99-1
Product Name Alternative
K777, K-777, K 777, CCR4, Cysteine Protease, Cysteine protease, CysteineProtease, CYP3A4, APC3316, APC-3316, APC 3316
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Metabolism Research, Pharmacology & Drug Discovery, Protein Biochemistry
Purity
97.35% (May vary between batches)
Solubility
DMSO:90 mg/mL (156.6 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (5.74 mM)
Smiles
CN1CCN (CC1) C (=O) N[C@@H] (Cc1ccccc1) C (=O) N[C@@H] (CCc1ccccc1) \C=C\S (=O) (=O) c1ccccc1
Molecular Formula
C32H38N4O4S
Molecular Weight
574.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

K-777
CAS Number233277-99-1
PubChem CID9851116
IUPAC NameN-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpiperazine-1-carboxamide
Molecular FormulaC32H38N4O4S
Molecular Weight574.7
XLogP4.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity939
SMILES
CN1CCN(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC3=CC=CC=C3)/C=C/S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/b24-19+/t28-,30-/m0/s1
InChIKey
RHJLQMVZXQKJKB-FPHSVDBKSA-N
Chemical Structure
2D Structure
2D structure of K-777
CAS: 233277-99-1
CID: 9851116
Formula: C32H38N4O4S
MW: 574.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.7
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass574.26137688
Monoisotopic Mass574.26137688
Topological Polar Surface Area107 Ų
Heavy Atom Count41
Formal Charge0
Complexity939
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA1645-5.1K777
GW4409-1mgK777 [K11777]
HY-176991Desmethyl-K777
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HY-119293AK777 (tosylate)
TRC-K165806-25MGK777 Hydrochloride-d8

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