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CPI-637 (Standard)

CAT: 0804-HY-100482RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-100482RSize:1 Each
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Description
CPI-637 (Standard) is the analytical standard of CPI-637. This product is intended for research and analytical applications. CPI-637 is a selective and potent CBP/EP300 bromodomain inhibitor with IC50 values of 0.03 μM, 0.051 μM and 11.0 μM for CBP, EP300 and BRD4 BD-1, respectively, and an EC50 of 0.3 μM for CBP[1].
CAS Number
1884712-47-3
Target
Epigenetic Reader Domain; Histone Acetyltransferase; Reference Standards
Related Pathways
Epigenetics; Others
Field of Research
Cancer
Smiles
O=C1NC2=CC=CC(C3=CC4=C(N(C)N=C4C5=CN(C)N=C5)C=C3)=C2N[C@H](C)C1
Molecular Formula
C22H22N6O
Molecular Weight
386.45
References & Citations
[1]Taylor AM, et al. Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637) . ACS Med Chem Lett. 2016 Mar 15;7 (5) :531-6.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

(R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
CAS Number1884712-47-3
PubChem CID121271792
IUPAC Name(4R)-4-methyl-6-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
Molecular FormulaC22H22N6O
Molecular Weight386.4
XLogP2.5
Topological Polar Surface Area76.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity616
SMILES
C[C@@H]1CC(=O)NC2=CC=CC(=C2N1)C3=CC4=C(C=C3)N(N=C4C5=CN(N=C5)C)C
InChI
InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1
InChIKey
BFTKDWYIRJGJCA-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of (R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
CAS: 1884712-47-3
CID: 121271792
Formula: C22H22N6O
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass386.18550935
Monoisotopic Mass386.18550935
Topological Polar Surface Area76.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity616
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

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Alternative Products

CatalogName
407306CPI-637
A16470-100CPI-637 100mg
A16470-1CPI-637 1mg
A16470-50CPI-637 50mg
A16470-25CPI-637 25mg
A16470-10CPI-637 10mg
A16470-2CPI-637 2mg
A16470-500CPI-637 500mg
A16470-5CPI-637 5mg
MBS5778585TAK-637

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