1. Introduction of 10-Propargyl-10-deazaaminopterin
10-Propargyl-10-deazaaminopterin is one kind of powder. Someone also call it "Pralatrexate". Its systematic name is N-{4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl}-L-glutamic acid. Its classification codes are Antineoplastic; Treatment of malignancies. It is soluble in aqueous solutions at pH 6.5 or higher. Pralatrexate is practically insoluble in chloroform and ethanol. The pKa values are 3.25, 4.76, and 6.17. 

2. Properties of 10-Propargyl-10-deazaaminopterin
Physical properties about 10-Propargyl-10-deazaaminopterin are:
(1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 12; (8)#H bond donors: 7; (9)#Freely Rotating Bonds: 10; (10)Polar Surface Area: 130.95 Å²; (11)Index of Refraction: 1.703; (12)Molar Refractivity: 125.94 cm³; (13)Molar Volume: 324.5 cm³; (14)Polarizability: 49.92×10^-24cm³; (15)Surface Tension: 89.5 dyne/cm; (16)Density: 1.471 g/cm³.

3. Structure Descriptors of 10-Propargyl-10-deazaaminopterin:
(1)SMILES: O=C(O)[C@@H](NC(=O)c1ccc(cc1)C(CC#C)Cc2nc3c(nc2)nc(nc3N)N)CCC(=O)O
(2)InChI: InChI=1/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1
(3)InChIKey: OGSBUKJUDHAQEA-WMCAAGNKBV

4. Use of 10-Propargyl-10-deazaaminopterin
10-Propargyl-10-deazaaminopterin is an anti-cancer therapy. It is the first drug approved as a treatment for patients with relapsed or refractory peripheral T-cell lymphoma, or PTCL-a biologically diverse group of aggressive blood cancers that have a poor prognosis. Pralatrexate is a folate analogue inhibitor of dihydrofolate reductase (DHFR) exhibiting high affinity for reduced folate carrier-1 (RFC-1) with antineoplastic and immunosuppressive activities.

Pralatrexate selectively enters cells expressing RFC-1; intracellularly, this agent is highly polyglutamylated and competes for the folate binding site of DHFR, blocking tetrahydrofolate synthesis, which may result in depletion of nucleotide precursors; inhibition of DNA, RNA and protein synthesis; and apoptotic tumor cell death. Efficient intracellular polyglutamylation of pralatrexate results in higher intracellular concentrations compared to non-polyglutamylated pralatrexate, which is more readily effuxed by the MRP (multidrug resistance protein) drug efflux pump. RFC-1, an oncofetal protein expressed at highest levels during embryonic development, may be overexpressed on the cell surfaces of various cancer cell types.