CCT251236
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MedKoo CAT#: 406975

CAS#: 1693731-40-6

Description: 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

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CCT251236
CAS# 1693731-40-6
Instruction

Theoretical Analysis

MedKoo Cat#: 406975
Name: CCT251236
CAS#: 1693731-40-6
Chemical Formula: C32H32N4O5
Exact Mass: 552.24
Molecular Weight: 552.631
Elemental Analysis: C, 69.55; H, 5.84; N, 10.14; O, 14.48

Price and Availability

Size Price Availability Quantity
1mg USD 210
5mg USD 415
10mg USD 685
25mg USD 1200
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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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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