Synonym
VGD020; VGD 020; VGD-020;
IUPAC/Chemical Name
9-(cyclohexylmethyl)-1-((4-methoxyphenyl)sulfonyl)-3-methylene-5-tosyl-1,5,9-triazacyclododecane
InChi Key
IADINMLQCKJBSG-UHFFFAOYSA-N
InChi Code
InChI=1S/C31H45N3O5S2/c1-26-11-15-30(16-12-26)40(35,36)33-21-7-19-32(25-28-9-5-4-6-10-28)20-8-22-34(24-27(2)23-33)41(37,38)31-17-13-29(39-3)14-18-31/h11-18,28H,2,4-10,19-25H2,1,3H3
SMILES Code
C=C1CN(S(=O)(C2=CC=C(C)C=C2)=O)CCCN(CCCN(S(=O)(C3=CC=C(OC)C=C3)=O)C1)CC4CCCCC4
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
603.84
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: Berger K, Pauwels E, Parkinson G, Landberg G, Le T, Demillo VG, Lumangtad LA, Jones DE, Islam MA, Olsen R, Kapri T, Intasiri A, Vermeire K, Rhost S, Bell TW. Reduction of Progranulin-Induced Breast Cancer Stem Cell Propagation by Sortilin-Targeting Cyclotriazadisulfonamide (CADA) Compounds. J Med Chem. 2021 Aug 24. doi: 10.1021/acs.jmedchem.1c00943. Epub ahead of print. PMID: 34428050.
2: Ali R, Anugu S, Chawla R, Demillo VG, Goulinet-Mateo F, Gyawali S, Hamal S, Jones DE, Lamprecht K, Le T, Lumangtad LA, Pflug NC, Sama A, Scarbrough ED, Bell TW. Tsuji-Trost Cyclization of Disulfonamides: Synthesis of 12-Membered, 11-Membered, and Pyridine-Fused Macrocyclic Triamines. ACS Omega. 2019 Jan 31;4(1):1254-1264. doi: 10.1021/acsomega.8b02555. Epub 2019 Jan 15. PMID: 30729225; PMCID: PMC6356871.
3: Demillo VG, Goulinet-Mateo F, Kim J, Schols D, Vermeire K, Bell TW. Unsymmetrical cyclotriazadisulfonamide (CADA) compounds as human CD4 receptor down-modulating agents. J Med Chem. 2011 Aug 25;54(16):5712-21. doi: 10.1021/jm2002603. Epub 2011 Jul 29. PMID: 21800875.
