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861545

Sigma-Aldrich

N10-(Trifluoroacetyl)pteroic acid

95%

Synonym(s):

4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl](2,2,2-trifluoroacetyl)amino]benzoic acid, N10-Trifluoroacetylpteroic acid

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About This Item

Empirical Formula (Hill Notation):
C16H11F3N6O4
CAS Number:
37793-53-6
Molecular Weight:
408.29
MDL number:
MFCD00006707
UNSPSC Code:
12352100
PubChem Substance ID:
24888548
NACRES:
NA.22

Quality Level

200

Assay

95%

form

solid

mp

270 °C (dec.) (lit.)

functional group

amide
carboxylic acid
fluoro

SMILES string

Nc1nc(O)c2nc(CN(c3ccc(cc3)C(O)=O)C(=O)C(F)(F)F)cnc2n1

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)

InChI key

IJGIHDXKYQLIMA-UHFFFAOYSA-N

Application

N10-(Trifluoroacetyl)pteroic acid is a structural component of folic acid. It can be used as a precursor to synthesize folic acid derivatives, γ-azido modified folic acid, and pteroyl-γ-glutamate-cysteine.

Other Notes

Remainder DMF

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Oral - Carc. 1B - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

861545-5G:
861545-25MG:
861545-VAR:
861545-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH2415
BCCH0122
BCCF9486
BCCF0105
BCCC5496

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Self?Assembly of Folic Acid Derivatives: Induction of Supramolecular Chirality by Hierarchical Chiral Structures.
Kamikawa Y, et al.
Chemistry?A European Journal, 10(23), 5942-5951 (2004)
The facile synthesis of multifunctional PAMAM dendrimer conjugates through copper-free click chemistry.
Huang B, et al.
Bioorganic & Medicinal Chemistry Letters, 22(9), 3152-3156 (2012)
Pteroyl-γ-glutamate-cysteine synthesis and its application in folate receptor-mediated cancer cell targeting using folate-tethered liposomes.
Zhang Y, et al.
Analytical Biochemistry, 332(1), 168-177 (2004)
Chun-Yen Ke et al.
Journal of the American Chemical Society, 127(20), 7421-7426 (2005-05-19)
The cell membrane folate receptor is a potential molecular target for tumor-selective drug delivery. To probe structural requirements for folate receptor targeting with low molecular weight radiometal chelates, specifically the role of the amino acid fragment of folic acid (pteroylglutamic

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