10-Formyl-5,8-dideazafolic acid

Modify Date: 2024-01-11 11:28:49

10-Formyl-5,8-dideazafolic acid Structure
10-Formyl-5,8-dideazafolic acid structure
Common Name 10-Formyl-5,8-dideazafolic acid
CAS Number 61038-31-1 Molecular Weight 467.43100
Density 1.54g/cm3 Boiling Point N/A
Molecular Formula C22H21N5O7 Melting Point N/A
MSDS N/A Flash Point N/A

 Use of 10-Formyl-5,8-dideazafolic acid


10-Formyl-5,8-dideazafolic acid is a thymidylate synthase inhibitor[1].

 Names

Name 10-formyl-5,8-dideazafolate

 10-Formyl-5,8-dideazafolic acid Biological Activity

Description 10-Formyl-5,8-dideazafolic acid is a thymidylate synthase inhibitor[1].
Related Catalog
Target

thymidylate synthase[1]

References

[1]. Reddy MR, et, al. Calculation of solvation and binding free energy differences for folate-based inhibitors of the enzyme thymidylate synthase. J. Am. Chem. Soc. 1992, 114, 26, 10117-10122.

 Chemical & Physical Properties

Density 1.54g/cm3
Molecular Formula C22H21N5O7
Molecular Weight 467.43100
Exact Mass 467.14400
PSA 196.04000
LogP 2.73640
Index of Refraction 1.699
InChIKey QHUBQNFYSLRYQG-KRWDZBQOSA-M
SMILES Nc1nc2ccc(CN(C=O)c3ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc3)cc2c(=O)[nH]1
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