BMS-906024

BMS-906024
Identifiers
	IUPAC name (2R,3S)-N-[(3S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)succinamide;
PubChem CID	66550890;
PubChem SID	152143555;
ChemSpider	28536138;
Chemical and physical data
Formula	C26H26F6N4O3
Molar mass	556.500 g/mol
3D model (JSmol)	Interactive image;
	SMILES CN1c2ccccc2C(=N[C@@H](C1=O)NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(=O)N)c3ccccc3;
	InChI InChI=1S/C26H26F6N4O3/c1-36-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)34-22(24(36)39)35-23(38)17(12-14-26(30,31)32)16(21(33)37)11-13-25(27,28)29/h2-10,16-17,22H,11-14H2,1H3,(H2,33,37)(H,35,38)/t16-,17+,22+/m0/s1; Key:AYOUDDAETNMCBW-GSHUGGBRSA-N;

New Phase I drug structure by Bristol-Myers Squibb disclosed at the spring 2013 American Chemical Society meeting in New Orleans to treat breast, lung, and colon cancers and leukemia.^[1] The drug works as an pan-Notch inhibitor. The structure is one of a set patented in 2012,^[2] and it currently being studied in clinical trials.^[3]^[4]

References

↑ C. Drahl, Liveblogging First-Time Disclosures of Drug Structures from #ACSNOLA, 2013, http://cenblog.org/the-haystack/2013/04/liveblogging-first-time-disclosures-of-drug-structures-from-acsnola/
↑ http://patentscope.wipo.int/search/en/detail.jsf?docId=WO2012129353
↑ http://clinicaltrials.gov/show/NCT01653470
↑ http://clinicaltrials.gov/show/NCT01292655

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[1] C. Drahl, Liveblogging First-Time Disclosures of Drug Structures from #ACSNOLA, 2013, http://cenblog.org/the-haystack/2013/04/liveblogging-first-time-disclosures-of-drug-structures-from-acsnola/

[2] ttp://patentscope.wipo.int/search/en/detail.jsf?docId=WO2012129353

[3] ttp://clinicaltrials.gov/show/NCT01653470

[4] ttp://clinicaltrials.gov/show/NCT01292655

Identifiers

IUPAC name (2R,3S)-N-[(3S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)succinamide
PubChem CID	66550890
PubChem SID	152143555
ChemSpider	28536138
Chemical and physical data
Formula	C₂₆H₂₆F₆N₄O₃
Molar mass	556.500 g/mol
3D model (JSmol)	Interactive image
SMILES CN1c2ccccc2C(=N[C@@H](C1=O)NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(=O)N)c3ccccc3
InChI InChI=1S/C26H26F6N4O3/c1-36-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)34-22(24(36)39)35-23(38)17(12-14-26(30,31)32)16(21(33)37)11-13-25(27,28)29/h2-10,16-17,22H,11-14H2,1H3,(H2,33,37)(H,35,38)/t16-,17+,22+/m0/s1 Key:AYOUDDAETNMCBW-GSHUGGBRSA-N