MedKoo Cat#: 577557 | Name: Denibulin

Description:

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

Denibulin is a benzimidazole carbamate vascular disrupting (microtubule-destabilizing) agent.

Chemical Structure

Denibulin
Denibulin
CAS#284019-34-7 (free base)

Theoretical Analysis

MedKoo Cat#: 577557

Name: Denibulin

CAS#: 284019-34-7 (free base)

Chemical Formula: C18H19N5O3S

Exact Mass: 385.1209

Molecular Weight: 385.44

Elemental Analysis: C, 56.09; H, 4.97; N, 18.17; O, 12.45; S, 8.32

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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Synonym
Denibulin; MN-029; MN 029; MN029
IUPAC/Chemical Name
methyl (S)-(5-((4-(2-aminopropanamido)phenyl)thio)-1H-benzo[d]imidazol-2-yl)carbamate
InChi Key
GAOHLWCIAJNSEE-JTQLQIEISA-N
InChi Code
InChI=1S/C18H19N5O3S/c1-10(19)16(24)20-11-3-5-12(6-4-11)27-13-7-8-14-15(9-13)22-17(21-14)23-18(25)26-2/h3-10H,19H2,1-2H3,(H,20,24)(H2,21,22,23,25)/t10-/m0/s1
SMILES Code
COC(=O)Nc1nc2cc(Sc3ccc(NC(=O)[C@H](C)N)cc3)ccc2[nH]1
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 385.44 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. Traynor, Anne M.; Gordon, Michael S.; Alberti, Dona; Mendelson, David S.; Munsey, Mark S.; Wilding, George; Gammans, Richard E.; Read, William L. A dose escalation, safety, and tolerability study of MN-029 in patients with advanced solid tumors. Investigational New Drugs (2010), 28(4), 509-515. CODEN: INNDDK ISSN:0167-6997. AN 2010:638288 2. Lee, Ray M.; Gewirtz, David A. Colchicine site inhibitors of microtubule integrity as vascular disrupting agents. Drug Development Research (2008), 69(6), 352-358. CODEN: DDREDK ISSN:0272-4391. CAN 150:229065 AN 2009:13930 3. Cai, Sui X. Small molecule vascular disrupting agents: potential new drugs for cancer treatment. Recent Patents on Anti-Cancer Drug Discovery (2007), 2(1), 79-101. CODEN: RPADDY ISSN:1574-8928. CAN 146:414035 AN 2007:141194 4. Shi, Wenyin; Siemann, Dietmar W. Preclinical studies of the novel vascular disrupting agent MN-029. Anticancer Research (2005), 25(6B), 3899-3904. CODEN: ANTRD4 ISSN:0250-7005. CAN 144:285716 AN 2005:1291495 5. Ryan, Anderson Joseph. Vascular damaging agents, such as ZD6126 for administration as an intravenous infusion for treatment of solid tumors. PCT Int. Appl. (2005), 26 pp. CODEN: PIXXD2 WO 2005110426 A1 20051124 CAN 143:483170 AN 2005:1242338 6. Traynor Anne M; Gordon Michael S; Alberti Dona; Mendelson David S; Munsey Mark S; Wilding George; Gammans Richard E; Read William L A dose escalation, safety, and tolerability study of MN-029 in patients with advanced solid tumors. Investigational new drugs (2010), 28(4), 509-15. 7. Cai Sui X Small molecule vascular disrupting agents: potential new drugs for cancer treatment. Recent patents on anti-cancer drug discovery (2007), 2(1), 79-101. 8. Shi Wenyin; Siemann Dietmar W Preclinical studies of the novel vascular disrupting agent MN-029. Anticancer research (2005), 25(6B), 3899-904.