MedKoo Cat#: 128863 | Name: DDO-6691

Description:

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

DDO-6691 is a Hsp90Regulator with Enhanced Antitumor Activity. DDO-6691 demonstrates improved ADME properties andsignificantly enhanced antitumor activity. Notably, parental HCT-116 cells exhibited markedly greater sensitivity to compound 39(IC50 > 50 μM) compared to their Cdc37-knockout counterparts. Importantly, DDO-6691 displayed potent tumor growthinhibition in HCT-116 xenograft mouse models.

Chemical Structure

DDO-6691
DDO-6691
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 128863

Name: DDO-6691

CAS#: N/A

Chemical Formula: C22H17N3O2S

Exact Mass: 387.1041

Molecular Weight: 387.46

Elemental Analysis: C, 68.20; H, 4.42; N, 10.85; O, 8.26; S, 8.27

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
DDO-6691; DDO6691; DDO 6691;
IUPAC/Chemical Name
(E)-3-(1-phenyl-5-(2-(phenylsulfonyl)vinyl)-1H-pyrazol-3-yl)pyridine
InChi Key
QNMDSUGFANQKMU-FYWRMAATSA-N
InChi Code
InChI=1S/C22H17N3O2S/c26-28(27,21-11-5-2-6-12-21)15-13-20-16-22(18-8-7-14-23-17-18)24-25(20)19-9-3-1-4-10-19/h1-17H/b15-13+
SMILES Code
O=S(/C=C/C1=CC(C2=CC=CN=C2)=NN1C3=CC=CC=C3)(C4=CC=CC=C4)=O
Appearance
To be determined
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 387.46 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
Structural Optimization of Pyrazole Compounds as Hsp90 Regulators with Enhanced Antitumor Activity Zi-Wen Feng, Li Li, Shi-Duo Zhang, Ying-Ji Wang, Jia-Yue Pei, Nan-Nan Chen, Bei-Duo Wu, Qiu-Ling Zheng, Qi-Dong You, Xiao-Ke Guo, and Xiao-Li Xu Journal of Medicinal Chemistry Article ASAP DOI: 10.1021/acs.jmedchem.4c02182