Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01353)
Name
Pralatrexate
Synonyms    Click to Show/Hide the Synonyms of This API
Pralatrexate; 146464-95-1; Folotyn; 10-Propargyl-10-deazaaminopterin; Pralatrexate(Folotyn); HSDB 7786; PDX; CHEBI:71223; N-(4-(1-((2,4-Diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-L-glutamic acid; 146464-95-1 (racemic); (2S)-2-(4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzamido)pentanedioic acid; (2S)-2-((4-((1RS)-1-((2,4-Diaminopteridin-6-yl)methyl)but-3-ynyl)benzoyl)amino)pentanedioic acid; NCGC00242596-01; (2S)-2-({4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]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; L-Glutamic acid, N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-; N -(4-{1-[(2,4-diaminopteridin-6-yl)methyl]but-3-yn-1-yl}benzoyl)-L-glutamic acid; Folotyn (TN); Pralatrexate [USAN:INN]; pralatrexato; pralatrexatum; Pralatrexat; Pralatrexate(Folotyn)/; DSSTox_CID_28504; DSSTox_RID_82776; N-[4-[1-[(2,4-Diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-L-glutamic Acid; DSSTox_GSID_48578; SCHEMBL21633; GTPL6840; Pralatrexate (JAN/USAN/INN); CHEMBL1201746; DTXSID3048578; SCHEMBL15075302; BCPP000101; EX-A2142; Tox21_112906; 2667AH; ABP000543; BDBM50457437; MFCD00920897; NSC754230; s1497; AKOS015966891; AM84423; CCG-269517; CS-0504; DB06813; NSC-754230; QC-3214; SB17353; 10-Propargyl-10-deazaaminopterin, 95%; NCGC00386226-01; AC-28388; BS-15438; HY-10446; AB0095450; CAS-146464-95-1; SW220187-1; D05589; AB00443251-02; AB00443251_04; 464P951; Q637059; SR-01000941578; J-008227; SR-01000941578-1; L-Glutamic acid, N-(4-(1-((2,4-diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-
Clinical Status
Approved
PubChem CID
148121
Formula
C23H23N7O5
Canonical SMILES
C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
1S/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
InChIKey
OGSBUKJUDHAQEA-WMCAAGNKSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=148121"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 477.5 Topological Polar Surface Area 207
XlogP -0.9 Complexity 809
Heavy Atom Count 35 Rotatable Bond Count 10
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 11
Full List of Drug Formulations (DFMs) Containing This API
          Pralatrexate 20mg/ml solution Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Sodium Chloride; Sodium Hydroxide; Hydrochloric Acid
                   Dosage Form Solution
                   Company Acrotech
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Hydrochloric acid DIG Info Carbonic anhydrase V (Ki = 156 nM) [1]
          Pralatrexate 40mg/2ml solution Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Sodium Chloride; Sodium Hydroxide; Hydrochloric Acid
                   Dosage Form Solution
                   Company Acrotech
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Hydrochloric acid DIG Info Carbonic anhydrase V (Ki = 156 nM) [1]
References
1 Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1; 14(21):5435-9.

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