MedKoo Cat#: 577735 | Name: Cemdomespib

Description:

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

Cemdomespib is a heat shock protein 90 (HSP90) inhibitor that has been shown to improve sensory deficits in models of diabetic peripheral neuropathy.

Chemical Structure

Cemdomespib
CAS#1450642-92-8

Theoretical Analysis

MedKoo Cat#: 577735

Name: Cemdomespib

CAS#: 1450642-92-8

Chemical Formula: C24H30FNO6

Exact Mass: 447.2057

Molecular Weight: 447.50

Elemental Analysis: C, 64.42; H, 6.76; F, 4.25; N, 3.13; O, 21.45

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
Cemdomespib; KU-596; KU596; KU 596
IUPAC/Chemical Name
N-(2-(5-(((2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3'-fluoro-[1,1'-biphenyl]-2-yl)ethyl)acetamide
InChi Key
PDBWOHBMJQOBHL-WBADGQHESA-N
InChi Code
InChI=1S/C24H30FNO6/c1-14(27)26-11-10-15-8-9-18(13-19(15)16-6-5-7-17(25)12-16)31-23-21(29)20(28)22(30-4)24(2,3)32-23/h5-9,12-13,20-23,28-29H,10-11H2,1-4H3,(H,26,27)/t20-,21+,22+,23+/m0/s1
SMILES Code
CC(NCCC1=C(C2=CC=CC(F)=C2)C=C(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3O)C=C1)=O
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 447.50 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. Kurop MK, Huyen CM, Kelly JH, Blagg BSJ. The heat shock response and small molecule regulators. Eur J Med Chem. 2021 Dec 15;226:113846. doi: 10.1016/j.ejmech.2021.113846. Epub 2021 Sep 13. PMID: 34563965; PMCID: PMC8608735. 2. Kumar Mv V, Ebna Noor R, Davis RE, Zhang Z, Sipavicius E, Keramisanou D, Blagg BSJ, Gelis I. Molecular insights into the interaction of Hsp90 with allosteric inhibitors targeting the C-terminal domain. Medchemcomm. 2018 Jul 2;9(8):1323-1331. doi: 10.1039/c8md00151k. PMID: 30151087; PMCID: PMC6097425.