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MedKoo Cat#: 407919 | Name: CF53 free base

Description:

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

CF53 is a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor (IC50 = 11.7 nM; Ki < 1 nM to BRD4 BD1, oral F = 71.3% in mice).

Chemical Structure

CF53 free base
CF53 free base
CAS#1808160-52-2 (free base)

Theoretical Analysis

MedKoo Cat#: 407919

Name: CF53 free base

CAS#: 1808160-52-2 (free base)

Chemical Formula: C24H25N7O2

Exact Mass: 443.2070

Molecular Weight: 443.51

Elemental Analysis: C, 65.00; H, 5.68; N, 22.11; O, 7.21

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 #
1808160-52-2 (free base) 1808162-97-1 (TFA)
Synonym
CF53; CF-53; CF 53.
IUPAC/Chemical Name
N-(3-Cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
InChi Key
JIYPVUCBRQNICX-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28)
SMILES Code
CC1=NC(NC2=CC(C3CC3)=NN2C)=C4C(NC5=C4C=C(OC)C(C6=C(C)ON=C6C)=C5)=N1
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
>3 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
2934.99.03.00
More Info
BET proteins are critical epigenetic “readers” and play a key role in the regulation of gene transcription. They are attractive new therapeutic targets for cancers and a number of other human diseases.

Preparing Stock Solutions

The following data is based on the product molecular weight 443.51 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
Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor Yujun Zhao, Bing Zhou, Longchuan Bai, Liu Liu, Chao-Yie Yang, Jennifer L. Meagher, Jeanne A. Stuckey, Donna McEachern, Sally Przybranowski, Mi Wang, Xu Ran, Angelo Aguilar, Yang Hu, Jeff W. Kampf, Xiaoqin Li, Ting Zhao, Siwei Li, Bo Wen, Duxin Sun, and Shaomeng Wang Publication Date (Web): July 17, 2018 (Article) DOI: 10.1021/acs.jmedchem.8b00483