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

MedKoo CAT#: 205888

CAS#: 416852-27-2

Description: BGC-638, an analogue of BGC-945, is a thymidylate synthase inhibitor specifically transported into α-folate receptor (α-FR)–overexpressing tumors.

Chemical Structure

CAS# 416852-27-2

Theoretical Analysis

MedKoo Cat#: 205888
Name: BGC-638
CAS#: 416852-27-2
Chemical Formula: C32H33N5O9
Exact Mass: 631.22783
Molecular Weight: 631.63
Elemental Analysis: C, 60.85; H, 5.27; N, 11.09; O, 22.80

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 or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: BGC638; BGC 638; BGC-638; CB-300638; CB 300638; CB300638.

IUPAC/Chemical Name: (R)-2-((S)-4-carboxy-4-(4-(((S)-2-methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)(prop-2-yn-1-yl)amino)benzamido)butanamido)pentanedioic acid


InChi Code: InChI=1S/C32H33N5O9/c1-3-14-37(26-11-6-19-15-25-22(16-21(19)26)30(42)34-17(2)33-25)20-7-4-18(5-8-20)29(41)36-24(32(45)46)9-12-27(38)35-23(31(43)44)10-13-28(39)40/h1,4-5,7-8,15-16,23-24,26H,6,9-14H2,2H3,(H,35,38)(H,36,41)(H,39,40)(H,43,44)(H,45,46)(H,33,34,42)/t23-,24+,26+/m1/s1

SMILES Code: O=C(O)[C@H](NC(CC[C@@H](C(O)=O)NC(C1=CC=C(N([C@H]2CCC3=C2C=C4C(NC(C)=NC4=C3)=O)CC#C)C=C1)=O)=O)CCC(O)=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, not in water

Shelf Life: >5 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

Preparing Stock Solutions

The following data is based on the product molecular weight 631.63 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

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1: Gonen N, Assaraf YG. Antifolates in cancer therapy: Structure, activity and mechanisms of drug resistance. Drug Resist Updat. 2012 Aug 22. [Epub ahead of print] PubMed PMID: 22921318.

2: Jarmuła A. Antifolate inhibitors of thymidylate synthase as anticancer drugs. Mini Rev Med Chem. 2010 Nov;10(13):1211-22. Review. PubMed PMID: 20854257.

3: Pillai RG, Forster M, Perumal M, Mitchell F, Leyton J, Aibgirhio FI, Golovko O, Jackman AL, Aboagye EO. Imaging pharmacodynamics of the alpha-folate receptor-targeted thymidylate synthase inhibitor BGC 945. Cancer Res. 2008 May 15;68(10):3827-34. PubMed PMID: 18483267.

4: Gibbs DD, Theti DS, Wood N, Green M, Raynaud F, Valenti M, Forster MD, Mitchell F, Bavetsias V, Henderson E, Jackman AL. BGC 945, a novel tumor-selective thymidylate synthase inhibitor targeted to alpha-folate receptor-overexpressing tumors. Cancer Res. 2005 Dec 15;65(24):11721-8. PubMed PMID: 16357184.

5: Wood N, Gibbs DD, Jackman AL, Henley A, Workman P, Raynaud F. A liquid chromatographic-tandem mass spectrometric method for the determination of two selective thymidylate synthase inhibitors, BGC945 and BGC638, in mouse plasma. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Sep 25;824(1-2):181-8. PubMed PMID: 16061428.

Additional Information