| Identification | Back Directory | [Name]
N10-(TRIFLUOROACETYL)PTEROIC ACID | [CAS]
37793-53-6 | [Synonyms]
TRIFLUOROACETYLPTEROIC ACID
10-trifluoroacetyl-pteroic acid
N10-(TRIFLUOROACETYL)PTEROIC ACID
N10-(Trifluoroacetyl)pteroic acid 95%
N(sup 10)-(trifluoroacetyl)pteroic acid
4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-(2,2,2-trifluoroacetyl)amino]benzoic acid
4-[(2-Amino-4-hydroxypteridin-6-ylmethyl)-(2,2,2-trifluoroacetyl)amino]benzoic-acid
4-[[(2-Amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl](trifluoroacetyl)amino]benzoic acid
4-(N-((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)-methyl)-2,2,2-trifluoroacetamido)benzoic acid
4-[[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl](2,2,2-trifluoroacetyl)amino]-Benzoic acid
Benzoic acid,4-[[(2-aMino-3,4-dihydro-4-oxo-6-pteridinyl)Methyl](2,2,2-trifluoroacetyl)aMino]- | [Molecular Formula]
C16H11F3N6O4 | [MDL Number]
MFCD00006707 | [MOL File]
37793-53-6.mol | [Molecular Weight]
408.29 |
| Chemical Properties | Back Directory | [Melting point ]
270 °C (dec.)(lit.)
| [Boiling point ]
575.0±60.0 °C(Predicted) | [density ]
1.74±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
DMF (Slightly), DMSO (Slightly) | [form ]
Solid | [pka]
4.11±0.10(Predicted) | [color ]
Brown to Dark Brown | [Stability:]
Hygroscopic | [InChI]
InChI=1S/C16H11F3N6O4/c17-16(18,19)14(29)25(9-3-1-7(2-4-9)13(27)28)6-8-5-21-11-10(22-8)12(26)24-15(20)23-11/h1-5H,6H2,(H,27,28)(H3,20,21,23,24,26) | [InChIKey]
IJGIHDXKYQLIMA-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(N(CC2=CN=C3C(=N2)C(=O)NC(N)=N3)C(C(F)(F)F)=O)C=C1 |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
45-20/21/22-36/37/38 | [Safety Statements ]
53-22-26-36/37/39-45 | [RIDADR ]
UN 2811 6.1/PG 3 | [WGK Germany ]
3
| [HS Code ]
29339900 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 4 Oral
Carc. 1B
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white Solid | [Uses]
N10-Trifluoroacetylpteroic acid is a derivative of Pteroic acid (P840110), both of which are used as reagents to synthesize target ligands, like Folic acid (F680300), that have the ability to deliver chemotherapeutic agents specifically to cancer cells. |
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