8-Deazahomofolic acid | CAS#111113-73-6 | thymidylate synthase inhibitor

MedKoo Cat#: 597211 | Name: 8-Deazahomofolic acid

Description:

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

8-Deazahomofolic acid is a potential inhibitors of thymidylate synthase (TS) and other folate related enzymes.

Chemical Structure

8-Deazahomofolic acid

CAS#111113-73-6

Theoretical Analysis

MedKoo Cat#: 597211

Name: 8-Deazahomofolic acid

CAS#: 111113-73-6

Chemical Formula: C21H22N6O6

Exact Mass: 454.1601

Molecular Weight: 454.44

Elemental Analysis: C, 55.50; H, 4.88; N, 18.49; O, 21.12

Price and Availability

This product was removed for the commercial reasons.

Related CAS #

No Data

Synonym

8-Deazahomofolic acid;

IUPAC/Chemical Name

(4-((2-(2-amino-4-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)ethyl)amino)benzoyl)-L-glutamic acid

InChi Key

NHMPJFQQAWJNNS-HNNXBMFYSA-N

InChi Code

InChI=1S/C21H22N6O6/c22-21-26-14-6-5-13(24-17(14)19(31)27-21)9-10-23-12-3-1-11(2-4-12)18(30)25-15(20(32)33)7-8-16(28)29/h1-6,15,23H,7-10H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,26,27,31)/t15-/m0/s1

SMILES Code

O=C(O)CC[C@@H](C(O)=O)NC(C1=CC=C(NCCC2=CC=C(C3=N2)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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 454.44 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: DeGraw JI, Colwell WT, Brown VH, Sato M, Kisliuk RL, Gaumont Y, Thorndike J, Sirotnak FM. Synthesis and biological evaluation of 8-deazahomofolic acid and its tetrahydro derivative. J Med Chem. 1988 Jan;31(1):150-3. PubMed PMID: 3121855.