MedKoo Cat#: 406975 | Name: CCT251236
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Description:

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

CCT251236 is a potent and orally active Pirin Ligand from a Heat Shock Transcription Factor 1 (HSF1) Phenotypic Screen. CCT251236 is orally bioavailable and displays efficacy in a human ovarian carcinoma xenograft model. CCT251236 demonstrated excellent antiproliferative activity against the WM266.4 cell line (pGI50 = 7.92 ± 0.10, GI50 = 12 nM, n =11).

Chemical Structure

CCT251236
CAS#1693731-40-6

Theoretical Analysis

MedKoo Cat#: 406975

Name: CCT251236

CAS#: 1693731-40-6

Chemical Formula: C32H32N4O5

Exact Mass: 552.2373

Molecular Weight: 552.63

Elemental Analysis: C, 69.55; H, 5.84; N, 10.14; O, 14.48

Price and Availability

Size Price Availability Quantity
5mg USD 385.00 2 Weeks
10mg USD 685.00 2 Weeks
25mg USD 1,250.00 2 Weeks
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Related CAS #
No Data
Synonym
CCT251236; CCT-251236; CCT 251236.
IUPAC/Chemical Name
N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)-2-(2-(pyrrolidin-1-yl)ethoxy)quinoline-6-carboxamide
InChi Key
KLHOCHQJHXNKAS-UHFFFAOYSA-N
InChi Code
InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
SMILES Code
O=C(C1=CC(C=CC(OCCN2CCCC2)=N3)=C3C=C1)NC4=CC(NC(C5=CC(OCCO6)=C6C=C5)=O)=CC=C4C
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 552.63 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
Discovery of a Chemical Probe Bisamide (CCT251236): An Orally Bioavailable Efficacious Pirin Ligand from a Heat Shock Transcription Factor 1 (HSF1) Phenotypic Screen Matthew D. CheesemanNicola E. A. ChessumCarl S. RyeA. Elisa PasquaMichael J. TuckerBirgit WildingLindsay E. EvansSusan LepriMeirion RichardsSwee Y. SharpSalyha AliMartin RowlandsLisa O’FeeAsadh MiahAngela HayesAlan T. HenleyMarissa PowersRobert te PoeleEmmanuel De BillyLoredana PellegrinoFlorence RaynaudRosemary BurkeRob L. M. van MontfortSuzanne A. EcclesPaul WorkmanKeith Jones Publication Date (Web): November 23, 2016 (Article) DOI: 10.1021/acs.jmedchem.6b01055