MedKoo Cat#: 574845 | Name: Pemetrexed Diethyl Ester

Description:

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

Pemetrexed Diethyl Ester is a protected intermediate in the synthesis of Pemetrexed, a multi-targeted anti-folate that inhibits thymidylate synthase as well as other folate dependent enzymes.

Chemical Structure

Pemetrexed Diethyl Ester
Pemetrexed Diethyl Ester
CAS#146943-43-3

Theoretical Analysis

MedKoo Cat#: 574845

Name: Pemetrexed Diethyl Ester

CAS#: 146943-43-3

Chemical Formula: C24H29N5O6

Exact Mass: 483.2118

Molecular Weight: 483.52

Elemental Analysis: C, 59.62; H, 6.05; N, 14.48; O, 19.85

Price and Availability

Size Price Availability Quantity
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
Pemetrexed Diethyl Ester
IUPAC/Chemical Name
Diethyl 2-(4-(2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate
InChi Key
DEJAOZLLEHXUBF-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H29N5O6/c1-3-34-18(30)12-11-17(23(33)35-4-2)27-21(31)15-8-5-14(6-9-15)7-10-16-13-26-20-19(16)22(32)29-24(25)28-20/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3,(H,27,31)(H4,25,26,28,29,32)
SMILES Code
O=C(OCC)C(NC(C1=CC=C(CCC2=CNC(N=C(N)N3)=C2C3=O)C=C1)=O)CCC(OCC)=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

Preparing Stock Solutions

The following data is based on the product molecular weight 483.52 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. Ramalingam SS, Dahlberg SE, Belani CP, Saltzman JN, Pennell NA, Nambudiri GS, McCann JC, Winegarden JD, Kassem MA, Mohamed MK, Rothman JM, Lyss AP, Horn L, Stinchcombe TE, Schiller JH. Pemetrexed, Bevacizumab, or the Combination As Maintenance Therapy for Advanced Nonsquamous Non-Small-Cell Lung Cancer: ECOG-ACRIN 5508. J Clin Oncol. 2019 Sep 10;37(26):2360-2367. doi: 10.1200/JCO.19.01006. Epub 2019 Jul 30. PMID: 31361535; PMCID: PMC7001786. 2: Vora, P. A., Patel, R., & Dharamsi, A. (2021). Pemetrexed–first-line therapy for non-squamous non-small cell lung cancer: a review of patent literature. Recent Patents on Anti-Cancer Drug Discovery, 16(3), 333-349.