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MedKoo Cat#: 524559 | Name: CB30900

Description:

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

CB30900 is a novel, potent thymidylate synthase inhibitor. CB30900 is a TS inhibitor that does not rely on polyglutamation for activity. Greater than 90% TS inhibition was achieved following a 4-hr exposure to each compound at equitoxic doses (up to 100 times the IC50 determine by a 48-hr growth inhibition assay).

Chemical Structure

CB30900
CB30900
CAS#145788-82-5

Theoretical Analysis

MedKoo Cat#: 524559

Name: CB30900

CAS#: 145788-82-5

Chemical Formula: C31H32FN5O9

Exact Mass: 637.2184

Molecular Weight: 637.61

Elemental Analysis: C, 58.39; H, 5.06; F, 2.98; N, 10.98; O, 22.58

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 #
No Data
Synonym
CB 30900; CB30900; CB-30900.
IUPAC/Chemical Name
N-(N-(4-(N-((3,4-Dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl)-N-prop-2-ynylamino)-2-fluorobenzoyl)-L-gamma-glutamyl)-D-glutamic acid
InChi Key
PIGKKMGHDBPLME-RPWUZVMVSA-N
InChi Code
InChI=1S/C31H32FN5O9/c1-4-11-37(15-18-13-21-25(12-16(18)2)33-17(3)34-29(21)42)19-5-6-20(22(32)14-19)28(41)36-24(31(45)46)7-9-26(38)35-23(30(43)44)8-10-27(39)40/h1,5-6,12-14,23-24H,7-11,15H2,2-3H3,(H,35,38)(H,36,41)(H,39,40)(H,43,44)(H,45,46)(H,33,34,42)/t23-,24+/m1/s1
SMILES Code
O=C(O)CC[C@H](C(O)=O)NC(CC[C@@H](C(O)=O)NC(C1=CC=C(N(CC2=CC3=C(N=C(C)NC3=O)C=C2C)CC#C)C=C1F)=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
>2 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 637.61 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: Aherne GW, Hardcastle A, Raynaud F, Jackman AL. Immunoreactive dUMP and TTP pools as an index of thymidylate synthase inhibition; effect of tomudex (ZD1694) and a nonpolyglutamated quinazoline antifolate (CB30900) in L1210 mouse leukaemia cells. Biochem Pharmacol. 1996 May 17;51(10):1293-301. PubMed PMID: 8787544. 2: Walton MI, Gibson W, Aherne GW, Lawrence N, Stephens TC, Smith MN, Jackman AL. Preclinical pharmacology of CB30900, a novel dipeptide inhibitor of thymidylate synthase, in mice. J Pharmacol Exp Ther. 1996 May;277(2):909-16. PubMed PMID: 8627573.