Isofolic acid | CAS#52560-13-1

MedKoo Cat#: 535227 | Name: Isofolic acid

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Isofolic acid is an analog of folic acid in which the 9-methyl & 10-amino groups are reversed.

Chemical Structure

Isofolic acid

CAS#52560-13-1

Theoretical Analysis

MedKoo Cat#: 535227

Name: Isofolic acid

CAS#: 52560-13-1

Chemical Formula: C19H19N7O6

Exact Mass: 441.1397

Molecular Weight: 441.40

Elemental Analysis: C, 51.70; H, 4.34; N, 22.21; O, 21.75

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

No Data

Synonym

Isofolic acid

IUPAC/Chemical Name

N-(4-(((2-Amino-1,4-dihydro-4-oxo-6-pteridinyl)amino)methyl)benzoyl)-L-glutamic acid

InChi Key

IAUVIFJNDZCYPY-NSHDSACASA-N

InChi Code

InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)24-12(8-22-15)21-7-9-1-3-10(4-2-9)16(29)23-11(18(31)32)5-6-13(27)28/h1-4,8,11H,5-7H2,(H,21,24)(H,23,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t11-/m0/s1

SMILES Code

O=C(O)CC[C@@H](C(O)=O)NC(C1=CC=C(CNC2=CN=C3NC(N)=NC(C3=N2)=O)C=C1)=O

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 441.40 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Hynes JB, Garrett CM. Synthesis of quinazoline analogs of isofolic acid. J Med Chem. 1975 Jun;18(6):632-4. doi: 10.1021/jm00240a025. PMID: 1151982. 2: Nair MG, Baugh CM. Synthesis and biological evaluation of isofolic acid. J Med Chem. 1974 Feb;17(2):223-6. doi: 10.1021/jm00248a017. PMID: 4203368. 3: Hynes JB, Patil SA, Tomazic A, Kumar A, Pathak A, Tan XH, Li XQ, Ratnam M, Delcamp TJ, Freisheim JH. Inhibition of murine thymidylate synthase and human dihydrofolate reductase by 5,8-dideaza analogues of folic acid and aminopterin. J Med Chem. 1988 Feb;31(2):449-54. doi: 10.1021/jm00397a031. PMID: 3339615. 4: Cichowicz DJ, Hynes JB, Shane B. Substrate specificity of mammalian folylpoly-gamma-glutamate synthetase for 5,8-dideazafolates and 5,8-dideaza analogues of aminopterin. Biochim Biophys Acta. 1988 Dec 2;957(3):363-9. doi: 10.1016/0167-4838(88)90227-0. PMID: 2904278.