I-BET469

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MedKoo CAT#: 408063

CAS#: 2003197-53-1

Description: I-BET469 is a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose.


Price and Availability

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Pricing updated 2020-10-25. Prices are subject to change without notice.

I-BET469 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 408063
Name: I-BET469
CAS#: 2003197-53-1
Chemical Formula: C23H30N4O4
Exact Mass: 426.2267
Molecular Weight: 426.517
Elemental Analysis: C, 64.77; H, 7.09; N, 13.14; O, 15.00


Synonym: I-BET469; I-BET469; I-BET469;

IUPAC/Chemical Name: 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one

InChi Key: DDSHVVXWYKDTTQ-UHFFFAOYSA-N

InChi Code: InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3

SMILES Code: COCC(COC)N1C(C(C=C2C)=CN(C)C2=O)=NC3=CC(N4CCOCC4)=CC=C31


Technical Data

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:
2934.99.9001


Additional Information

The bromodomain and extraterminal (BET) family of bromodomain-containing proteins are important regulators of the epigenome through their ability to recognize N-acetyl lysine (KAc) post-translational modifications on histone tails. These interactions have been implicated in various disease states and, consequently, disruption of BET-KAc binding has emerged as an attractive therapeutic strategy with a number of small molecule inhibitors now under investigation in the clinic. However, until the utility of these advanced candidates is fully assessed by these trials, there remains scope for the discovery of inhibitors from new chemotypes with alternative physicochemical, pharmacokinetic, and pharmacodynamic profile


References

1: Wellaway CR, Amans D, Bamborough P, Barnett H, Bit RA, Brown JA, Carlson NR,
Chung CW, Cooper AWJ, Craggs PD, Davis RP, Dean TW, Evans JP, Gordon L, Harada
IL, Hirst DJ, Humphreys PG, Jones KL, Lewis AJ, Lindon MJ, Lugo D, Mahmood M,
McCleary S, Medeiros P, Mitchell DJ, O'Sullivan M, Le Gall A, Patel VK, Patten C,
Poole DL, Shah RR, Smith JE, Stafford KAJ, Thomas PJ, Vimal M, Wall ID, Watson
RJ, Wellaway N, Yao G, Prinjha RK. Discovery of a Bromodomain and Extraterminal
Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded
Library Technology and Fragment Screening. J Med Chem. 2020 Jan 6. doi:
10.1021/acs.jmedchem.9b01670. [Epub ahead of print] PubMed PMID: 31904959.