Compound: Carfilzomib
SMILES: O=C(N[C@H](C(=O)[C@@]1(OC1)C)CC(C)C)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN2CCOCC2)CCc3ccccc3)CC(C)C)Cc4ccccc4
InChIKey: BLMPQMFVWMYDKT-NZTKNTHTSA-N
Synonyms: Carfilzomib, 868540-17-4, Kyprolis, PR-171, NSC-758252, 72X6E3J5AR, DTXSID4048690, DTXCID0028616, CHEBI:65347, N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-{(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl}-L-phenylalaninamide, (2S)-N-((1S)-1-Benzyl-2-(((1S)-3-methyl-1-(((2R)-2-methyloxiran-2-yl)carbonyl)butyl)amino)-2-oxoethyl)-4-methyl-2-(((2S)-2-((morpholin-4-ylacetyl)amino)-4-phenylbutanoyl)amino)pentanamide, L-Phenylalaninamide, (alphaS)-alpha-((4-morpholinylacetyl)amino)benzenebutanoyl-L-leucyl-N-((1S)-3-methyl-1-(((2R)-2-methyloxiranyl)carbonyl)butyl)-, carfilzomibum, PR171, (2S)-N-[(1S)-1-Benzyl-2-[[(1S)-3-methyl-1-[[(2R)-2-methyloxiran-2-yl]carbonyl]butyl]amino]-2-oxoethyl]-4-methyl-2-[[(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamide, N-((2S)-2-((morpholin-4-ylacetyl)amino)-4-phenylbutanoyl)-L-leucyl-N-((2S)-4-methyl-1-((2R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)-L-phenylalaninamide, RefChem:57059, L01XX45, Carfilzomib (PR-171), Carfilzomib (PR171), UNII-72X6E3J5AR, MFCD11040997, C40H57N5O7, CHEMBL451887, (S)-4-methyl-N-((S)-1-(((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamide, NCGC00249613-01, (2S)-4-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamide, (S)-4-methyl-N-((S)-1-((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamide, Carfilzomib [USAN], CAS-868540-17-4, (alphaS)-alpha-[[2-(4-Morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-N-[(1S)-3-methyl-1-[[(2R)-2-methyl-2-oxiranyl]carbonyl]butyl]-L-phenylalaninamide, Carfilzomib [USAN:INN], Kyprolis (TN), Carfilzomib; PR171, Carfilzomib (Standard), CARFILZOMIB [MI], CARFILZOMIB [INN], CARFILZOMIB [JAN], CARFILZOMIB [VANDF], Carfilzomib (PR-171)?, SCHEMBL85165, CARFILZOMIB [WHO-DD], MLS006011102, Carfilzomib (JAN/USAN/INN), GTPL7420, orb1307429, CARFILZOMIB [ORANGE BOOK], BLMPQMFVWMYDKT-NZTKNTHTSA-N, GLXC-90068, EX-A2037, ONO-7057, Tox21_113079, BDBM50277889, EBC-17178, HY-10455R, NSC756640, NSC758252, s2853, AKOS025401910, Tox21_113079_1, CCG-270405, CS-0984, CS-W004540, DB08889, FC46443, NSC 758252, NSC-756640, NCGC00249613-02, NCGC00249613-03, NCGC00249613-08, NCGC00249613-11, NCGC00249613-13, (2S)-N-[(1S)-1-benzyl-2-[[(1S)-3-methyl-1-[(2R)-2-methyloxirane-2-carbonyl]butyl]amino]-2-oxo-ethyl]-4-methyl-2-[[(2S)-2-[(2-morpholinoacetyl)amino]-4-phenyl-butanoyl]amino]pentanamide, (S)-4-Methyl-N-((S)-1-((S)-4-Methyl-1-((R)-2- Methyloxiran-2-yl)-1 -oxopentan-2-ylaMino)-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-(2-MorpholinoacetaMido)-4-phenylbutanaMido)pentanaMide, AC-27051, AS-17059, BP-43632, HY-10455, SMR004660024, SY068813, NS00072616, SW218090-2, D08880, AB01565867_02, F951459, SR-01000941582, SR-01000941582-1, BRD-K15179879-001-03-2, Q15366934, (|AS)-|A-[[2-(4-Morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-N-[(1S)-3-methyl-1-[[(2R)-2-methyl-2-oxiranyl]carbonyl]butyl]-L-phenylalaninamide, (aS)-a-[(4-Morpholinylacetyl)amino]benzenebutanoyl-L-leucyl-N-[(1S)-3-methyl-1-[[(2R)-2-methyloxiranyl]carbonyl]butyl]-L-phenylalani  namide, (S)-4-Methyl-N-[(S)-1-[[(S)-4-methyl-1-[(R)-2-methyloxiran-2-yl]-1-oxo-2-pentyl]amino]-1-oxo-3-phenyl-2-propyl]-2-[(S)-2-(2-morpholinoacetamido)-4-phenylbutanamido]pentanamide, L-PHENYLALANINAMIDE, (.ALPHA.S)-.ALPHA.-((4-MORPHOLINYLACETYL)AMINO)BENZENEBUTANOYL-L-LEUCYL-N-((1S)-3-METHYL-1-(((2R)-2-METHYLOXIRANYL)CARBONYL)BUTYL)-, N-{(2S)-2-[2-(Morpholin-4-yl)acetamido]-4-phenylbutanoyl}-L-leucyl-N-{(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl}-L-phenylalaninamide
Theoretical properties:
molecular_formula: C40H57N5O7
molecular_weight: 719.9 g/mol
exact_mass: 719.42579917 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 20
heavy_atom_count: 52
topological_polar_surface_area: 158 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: Insoluble
Descriptions:
pubchem: Carfilzomib is a synthetic tetrapeptide consisting of morpholin-4-acetyl, L-2-amino-4-phenylbutanoyl, L-leucyl and L-phenylalanyl residues joined in sequence with the C-terminus connected to the amino group of (2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-1-one via an amide linkage. Used for the treatment of patients with multiple myeloma. It has a role as an antineoplastic agent and a proteasome inhibitor. It is an epoxide, a member of morpholines and a tetrapeptide.
chebi: A synthetic tetrapeptide consisting of morpholin-4-acetyl, <small>L</small>-2-amino-4-phenylbutanoyl, <small>L</small>-leucyl and <small>L</small>-phenylalanyl residues joined in sequence with the C-terminus connected to the amino group of (2<em>S</em>)-2-amino-4-methyl-1-[(2<i>R</i>)-2-methyloxiran-2-yl]-1-oxopentan-1-one via an amide linkage. Used for the treatment of patients with multiple myeloma
chembl: CARFILZOMIB is a protein listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Carfilzomib, sold under the brand name Kyprolis, is an anti-cancer medication acting as a selective proteasome inhibitor. Chemically, it is a tetrapeptide epoxyketone and an analog of epoxomicin. It was developed by Onyx Pharmaceuticals.
The US Food and Drug Administration (FDA) approved it in July 2012.