MedKoo Cat#: 581216 | Name: Dads-E

Description:

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

Dads-E can be used in use of diaminodithiol for labeling small molecules with technetium-99m.The estrone derivative was prepared by alkylation of DADS while the fatty acid derivative -N,N'-bisethylenediamine hydrochloride, DADT-FA) was synthesized by alkylation of DADS followed by reduction. DADS-E was labeled in ethanol at elevated temperatures while DADT-FA was labeled at room temperature, both by stannous reduction. Paper chromatography showed both to be labeled and reverse-phase HPLC showed multiple peaks for both. Serum stability studies were performed by incubation at 37 degrees C with aliquots removed at 1 min and 1 day for analysis by size-exclusion HPLC. Initially, little pertechnetate or binding to serum proteins was observed whereas after 1 day the majority of activity in both cases was protein bound with 20 and 38% pertechnetate appearing for DADT-FA and DADS-E respectively.

Chemical Structure

Dads-E
Dads-E
CAS#108736-70-5

Theoretical Analysis

MedKoo Cat#: 581216

Name: Dads-E

CAS#: 108736-70-5

Chemical Formula: C30H48Cl2N2O2S2

Exact Mass: 602.2534

Molecular Weight: 603.75

Elemental Analysis: C, 59.68; H, 8.01; Cl, 11.74; N, 4.64; O, 5.30; S, 10.62

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
Dads-E; Dads E; DadsE;
IUPAC/Chemical Name
2-((Hexahydro-3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecin-5(6H)-yl)methyl)-3-methoxyestra-1,3,5(10)-trien-17-one dihydrochloride
InChi Key
JEJDYDHMKHZVRL-HYPZIQOMSA-N
InChi Code
InChI=1S/C30H46N2O2S2.2ClH/c1-28(2)18-31-13-14-32(19-29(3,4)36-35-28)17-21-15-24-20(16-26(21)34-6)7-8-23-22(24)11-12-30(5)25(23)9-10-27(30)33;;/h15-16,22-23,25,31H,7-14,17-19H2,1-6H3;2*1H/t22-,23+,25-,30-;;/m0../s1
SMILES Code
C[C@]1([C@](CC2)([H])[C@]3([H])CCC4=C(C=C(CN5CC(C)(C)SSC(C)(C)CNCC5)C(OC)=C4)[C@@]3([H])CC1)C2=O.[H]Cl.[H]Cl
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
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 603.75 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: Liang FH, Virzi F, Hnatowich DJ. The use of diaminodithiol for labeling small molecules with technetium-99m. Int J Rad Appl Instrum B. 1987;14(1):63-7. PubMed PMID: 3583757.