MedKoo Cat#: 597197 | Name: 5-Deazaisofolic acid

Description:

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

5-Deazaisofolic acid exhibits potent antitumor activity.

Chemical Structure

5-Deazaisofolic acid
CAS#130327-67-2

Theoretical Analysis

MedKoo Cat#: 597197

Name: 5-Deazaisofolic acid

CAS#: 130327-67-2

Chemical Formula: C20H20N6O6

Exact Mass: 440.1444

Molecular Weight: 440.41

Elemental Analysis: C, 54.54; H, 4.58; N, 19.08; O, 21.80

Price and Availability

This product was removed for the commercial reasons.
Related CAS #
No Data
Synonym
5-Deazaisofolic acid;
IUPAC/Chemical Name
(4-(((2-amino-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl)amino)methyl)benzoyl)-L-glutamic acid
InChi Key
AYDSBKMPDDZABS-AWEZNQCLSA-N
InChi Code
InChI=1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)/t14-/m0/s1
SMILES Code
O=C(O)CC[C@@H](C(O)=O)NC(C1=CC=C(CNC2=CN=C(C3=C2)NC(N)=NC3=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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 440.41 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.

Recalculate based on batch purity %
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: Singh SK, Dev IK, Duch DS, Ferone R, Smith GK, Freisheim JH, Hynes JB. Synthesis and biological evaluation of 5-deazaisofolic acid, 5-deaza-5,6,7,8-tetrahydroisofolic acid, and their N9-substituted analogues. J Med Chem. 1991 Feb;34(2):606-10. PubMed PMID: 1995883.