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MedKoo Cat#: 597192 | Name: gamma-tert-Butyl methotrexate

Description:

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

gamma-tert-Butyl methotrexate is a bioactive chemical.

Chemical Structure

gamma-tert-Butyl methotrexate
gamma-tert-Butyl methotrexate
CAS#79640-76-9

Theoretical Analysis

MedKoo Cat#: 597192

Name: gamma-tert-Butyl methotrexate

CAS#: 79640-76-9

Chemical Formula: C24H30N8O5

Exact Mass: 510.2339

Molecular Weight: 510.55

Elemental Analysis: C, 56.46; H, 5.92; N, 21.95; O, 15.67

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 #
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Synonym
gamma-tert-Butyl methotrexate; gamma-Tbmtx; NSC 378900; NSC-378900; NSC378900;
IUPAC/Chemical Name
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
InChi Key
AHTGHRYUTABCAE-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H30N8O5/c1-24(2,3)37-17(33)10-9-16(22(35)36)29-21(34)13-5-7-15(8-6-13)32(4)12-14-11-27-20-18(28-14)19(25)30-23(26)31-20/h5-8,11,16H,9-10,12H2,1-4H3,(H,29,34)(H,35,36)(H4,25,26,27,30,31)
SMILES Code
CC(C)(C)OC(=O)CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N
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 510.55 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: Wright JE, Rosowsky A, Cucchi CA, Flatow J, Frei E 3rd. Methotrexate and gamma-tert-butyl methotrexate transport in CEM and CEM/MTX human leukemic lymphoblasts. Biochem Pharmacol. 1993 Sep 1;46(5):871-6. PubMed PMID: 8373437. 2: Wright JE, Rosowsky A, Waxman DJ, Trites D, Cucchi CA, Flatow J, Frei E 3rd. Metabolism of methotrexate and gamma-tert-butyl methotrexate by human leukemic cells in culture and by hepatic aldehyde oxidase in vitro. Biochem Pharmacol. 1987 Jul 1;36(13):2209-14. PubMed PMID: 2440437. 3: Rosowsky A, Freisheim JH, Bader H, Forsch RA, Susten SS, Cucchi CA, Frei E 3rd. Methotrexate analogues. 25. Chemical and biological studies on the gamma-tert-butyl esters of methotrexate and aminopterin. J Med Chem. 1985 May;28(5):660-7. PubMed PMID: 3872941.

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