Compound: Pralatrexate
SMILES: O=C(N[C@H](C(=O)O)CCC(=O)O)c1ccc(C(CC#C)Cc2nc3c(nc(N)nc3N)nc2)cc1
InChIKey: OGSBUKJUDHAQEA-WMCAAGNKSA-N
Synonyms: Pralatrexate, 146464-95-1, Folotyn, 10-Propargyl-10-deazaaminopterin, pralatrexato, HSDB 7786, N-(4-(1-((2,4-Diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-L-glutamic acid, pralatrexatum, NSC-754230, DTXSID3048578, CHEBI:71223, A8Q8I19Q20, (2S)-2-((4-((1RS)-1-((2,4-Diaminopteridin-6-yl)methyl)but-3-ynyl)benzoyl)amino)pentanedioic acid, DTXCID3028504, (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acid, N-{4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl}-L-glutamic acid, (2S)-2-({4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl}amino)pentanedioic acid, L-Glutamic acid, N-(4-(1-((2,4-diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-, (2S)-2-[[4-[(1RS)-1-[(2,4-diaminopteridin-6-yl)methyl]but-3-ynyl]benzoyl]amino]pentanedioic acid, (2S)-2-((4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoyl)amino)pentanedioic acid, N-(4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoyl)-L-glutamic acid, RefChem:57047, L01BA05, N-(4-(1-((2,4-Diaminopteridin-6-yl)methyl)but-3-yn-1-yl)benzoyl)-L-glutamic Acid, (2S)-2-((4-((1RS)-1-((2, 4-Diaminopteridin-6-yl)methyl)but-3-ynyl)benzoyl)amino)pentanedioic Acid, (2S)-2-(4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzamido)pentanedioic acid, Pralatrexate(Folotyn), MFCD00920897, L-Glutamic acid, N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-, PDX, NSC754230, NCGC00242596-01, (2S)-2-[[4-[1-[(2,4-diaminopteridin-6-yl)methyl]but-3-ynyl]benzoyl]amino]pentanedioic acid, C23H23N7O5, Folotyn (TN), Pralatrexate [USAN], Pralatrexate [USAN:INN], Pralatrexte, UNII-A8Q8I19Q20, s1497, 146464-95-1 (racemic), PRALATREXATE [MI], PRALATREXATE [INN], PRALATREXATE [JAN], PRALATREXATE [HSDB], PRALATREXATE [VANDF], SCHEMBL21633, PRALATREXATE [MART.], PRALATREXATE [WHO-DD], GTPL6840, orb1301055, Pralatrexate (JAN/USAN/INN), CHEMBL1201746, SCHEMBL15075302, SCHEMBL29355142, GLXC-04258, PRALATREXATE [ORANGE BOOK], EX-A2142, Tox21_112906, BDBM50457437, EBC-27202, AKOS015966891, CCG-269517, CS-0504, DB06813, NSC 754230, (2S)-2-({4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]phenyl}formamido)pentanedioic acid, N -(4-{1-[(2,4-diaminopteridin-6-yl)methyl]but-3-yn-1-yl}benzoyl)-L-glutamic acid, s11194, 10-Propargyl-10-deazaaminopterin, 95%, NCGC00242596-02, NCGC00242596-05, NCGC00386226-01, AC-28388, BS-15438, DA-57020, FP159010, HY-10446, CAS-146464-95-1, P2645, SW220187-1, D05589, AB00443251-02, AB00443251_04, EN300-26509071, Q637059, SR-01000941578, SR-01000941578-1, BRD-A74914197-001-02-9
Theoretical properties:
molecular_formula: C23H23N7O5
molecular_weight: 477.5 g/mol
exact_mass: 477.17606686 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 11
rotatable_bond_count: 10
heavy_atom_count: 35
topological_polar_surface_area: 207 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Off-white to yellow solid
color: Off-white to yellow solid
solubility: Practically insoluble in shloroform and ethanol
Descriptions:
pubchem: Pralatrexate is a pteridine that is the N-4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl derivative of L-glutamic acid. Used for treatment of Peripheral T-Cell Lymphoma, an aggressive form of non-Hodgkins lymphoma. It has a role as an antimetabolite, an antineoplastic agent and an EC 1.5.1.3 (dihydrofolate reductase) inhibitor. It is a N-acyl-L-glutamic acid, a member of pteridines and a terminal acetylenic compound.
chebi: A pteridine that is the <em>N</em>-4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl derivative of <small>L</small>-glutamic acid. Used for treatment of Peripheral T-Cell Lymphoma, an aggressive form of non-Hodgkins lymphoma.
chembl: PRALATREXATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Pralatrexate, sold under the brand name Folotyn, is a medication used for the treatment of relapsed or refractory peripheral T-cell lymphoma (PTCL).
Pralatrexate was approved for medical use in  the United States in September 2009, as the first treatment for Peripheral T-cell Lymphoma (PTCL), an often aggressive type of non-Hodgkins lymphoma.