gamma-tert-Butyl methotrexate

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

MedKoo CAT#: 597192

CAS#: 79640-76-9

Description: gamma-tert-Butyl methotrexate is a bioactive chemical.


Chemical Structure

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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: 510.23
Molecular Weight: 510.550
Elemental Analysis: C, 56.46; H, 5.92; N, 21.95; O, 15.67

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: gamma-tert-Butyl methotrexate; NSC 378900; NSC-378900; NSC378900; gamma-Tbmtx;

IUPAC/Chemical Name: (S)-5-(tert-butoxy)-2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-5-oxopentanoic acid

InChi Key: AHTGHRYUTABCAE-INIZCTEOSA-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)/t16-/m0/s1

SMILES Code: O=C(OC(C)(C)C)CC[C@@H](C(O)=O)NC(C1=CC=C(N(CC2=NC3=C(N)N=C(N)N=C3N=C2)C)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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.