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BAY-850

Cat No: AOB33771

Condition

CAS: 2099142-76-2

Chemical Name: N-[(2R)-1-[(4-Aminocyclohexyl)amino]-3-(4-cyanophenyl)propan-2-yl]-2-chloro-4-methoxy-5-[5-({[(1R)-1-(4-methylphenyl)ethyl]amino}methyl)-2-furyl]benzamide

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Quantity Discount Table - Order More To Get More Price Discount

Quantity	mg	Unit Price ($/mg or $/Unit)	Final Price
1	5	$17.85	Total: $89.25
1	10	$15.12	Total: $151.20
1	25	$12.81	Total: $320.25
1	50	$10.92	Total: $546.00
1	100	$9.45	Total: $945.00

Data sheet

Molecular Formula	C38H44ClN5O3
Molecular Weight	654.25
CAS Numbers	2099142-76-2
Storage Condition	0°C (short term), -20°C (long term), desiccated
Solubility	DMSO
Purity	98% by HPLC
Synonym	BAY-850; BAY850; BAY 850
IUPAC/Chemical Name	N-[(2R)-1-[(4-Aminocyclohexyl)amino]-3-(4-cyanophenyl)propan-2-yl]-2-chloro-4-methoxy-5-[5-({[(1R)-1-(4-methylphenyl)ethyl]amino}methyl)-2-furyl]benzamide
InChl Key	BSISGUIVBKDTQO-JLXKDNNHSA-N
InChl Code	InChI=1S/C38H44ClN5O3/c1-24-4-10-28(11-5-24)25(2)42-23-32-16-17-36(47-32)34-19-33(35(39)20-37(34)46-3)38(45)44-31(18-26-6-8-27(21-40)9-7-26)22-43-30-14-12-29(41)13-15-30/h4-11,16-17,19-20,25,29-31,42-43H,12-15,18,22-23,41H2,1-3H3,(H,44,45)/t25-,29?,30?,31-/m1/s1
SMILES Code	O=C(N[C@H](CC1=CC=C(C#N)C=C1)CNC2CCC(N)CC2)C3=CC(C4=CC=C(CN[C@@H](C5=CC=C(C)C=C5)C)O4)=C(OC)C=C3Cl
References	1) Fernández-Montalván AE, Berger M, Kuropka B, Koo SJ, Badock V, Weiske J, Puetter V, Holton SJ, Stöckigt D, Ter Laak A, Centrella PA, Clark MA, Dumelin CE, Sigel EA, Soutter HH, Troast DM, Zhang Y, Cuozzo JW, Keefe AD, Roche D, Rodeschini V, Chaikuad A, Díaz-Sáez L, Bennett JM, Fedorov O, Huber KVM, Hübner J, Weinmann H, Hartung IV, Gorjánácz M. Isoform-Selective ATAD2 Chemical Probe with Novel Chemical Structure and Unusual Mode of Action. ACS Chem Biol. 2017 Nov 17;12(11):2730-2736. doi: 10.1021/acschembio.7b00708. Epub 2017 Oct 24. PubMed PMID: 29043777.

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Novel potent and isoform selective ATAD2 inhibitor, specifically inducing ATAD2 bromodomain dimerization and preventing interactions with acetylated histones in vitro, as well as with chromatin in cells