IUPAC/Chemical Name
4-Allyl-1,2-methylenedioxybenzene; 5-Prop-2-enyl-1,3-benzodioxole
InChi Key
ZMQAAUBTXCXRIC-UHFFFAOYSA-N
InChi Code
InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
SMILES Code
C=CCC1=CC(OCO2)=C2C=C1
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
>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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
162.19
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.
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: Kim J, Ho Shin J, Chen CH, Cruz L, Farnebo L, Yang J, Borges P, Kang G, Mochly-Rosen D, Sunwoo JB. Targeting aldehyde dehydrogenase activity in head and neck squamous cell carcinoma with a novel small molecule inhibitor. Oncotarget. 2017 Apr 10. doi: 10.18632/oncotarget.17017. [Epub ahead of print] PubMed PMID: 28455980.
2: Chen CH, Cruz LA, Mochly-Rosen D. Pharmacological recruitment of aldehyde dehydrogenase 3A1 (ALDH3A1) to assist ALDH2 in acetaldehyde and ethanol metabolism in vivo. Proc Natl Acad Sci U S A. 2015 Mar 10;112(10):3074-9. doi: 10.1073/pnas.1414657112. Epub 2015 Feb 23. PubMed PMID: 25713355; PubMed Central PMCID: PMC4364197.
3: Xiao N, Cao H, Chen CH, Kong CS, Ali R, Chan C, Sirjani D, Graves E, Koong A, Giaccia A, Mochly-Rosen D, Le QT. A novel aldehyde dehydrogenase-3 activator (Alda-89) protects submandibular gland function from irradiation without accelerating tumor growth. Clin Cancer Res. 2013 Aug 15;19(16):4455-64. doi: 10.1158/1078-0432.CCR-13-0127. Epub 2013 Jun 28. PubMed PMID: 23812668; PubMed Central PMCID: PMC3745542.
4: Banh A, Xiao N, Cao H, Chen CH, Kuo P, Krakow T, Bavan B, Khong B, Yao M, Ha C, Kaplan MJ, Sirjani D, Jensen K, Kong CS, Mochly-Rosen D, Koong AC, Le QT. A novel aldehyde dehydrogenase-3 activator leads to adult salivary stem cell enrichment in vivo. Clin Cancer Res. 2011 Dec 1;17(23):7265-72. doi: 10.1158/1078-0432.CCR-11-0179. Epub 2011 Oct 13. PubMed PMID: 21998334; PubMed Central PMCID: PMC3544360.