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BY27

CAT: 1410-M32822-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M32822-01Size:1 Each
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Description
BY27, a potent and selective BET BD2 inhibitor (Ki: 3.1 nM) with anticancer activity, inhibits BD1/BD2 of BRD2, BRD3, BRD4, and BRDT, and suppresses tumor growth.
CAS Number
2247236-59-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
404.89
Molecular Formula
C22H21ClN6
Notes
Research use only, not for human use.
Receptor
Epigenetic Reader Domain

Chemical Information

(6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
CAS Number2247236-59-3
PubChem CID139035062
IUPAC Name(6R)-N-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
Molecular FormulaC22H21ClN6
Molecular Weight404.9
XLogP4
Topological Polar Surface Area60.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity555
SMILES
CC1=NN=C2N1C3=C(C=C(C=C3)C4=CN(N=C4)C)[C@@H](CC2)NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C22H21ClN6/c1-14-26-27-22-10-8-20(25-18-6-4-17(23)5-7-18)19-11-15(3-9-21(19)29(14)22)16-12-24-28(2)13-16/h3-7,9,11-13,20,25H,8,10H2,1-2H3/t20-/m1/s1
InChIKey
MDRXOFSNECSECW-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
CAS: 2247236-59-3
CID: 139035062
Formula: C22H21ClN6
MW: 404.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.9
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass404.1516224
Monoisotopic Mass404.1516224
Topological Polar Surface Area60.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity555
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP02462-01BY27
A18972-25BY27 25mg
A18972-1BY27 1mg
A18972-50BY27 50mg
A18972-2BY27 2mg
A18972-5BY27 5mg
A18972-10BY27 10mg

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