CB30900

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

MedKoo CAT#: 524559

CAS#: 145788-82-5

Description: 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

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CB30900
CAS# 145788-82-5

Theoretical Analysis

MedKoo Cat#: 524559
Name: CB30900
CAS#: 145788-82-5
Chemical Formula: C31H32FN5O9
Exact Mass: 637.22
Molecular Weight: 637.610
Elemental Analysis: C, 58.39; H, 5.06; F, 2.98; N, 10.98; O, 22.58

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: 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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.