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Key Documents

PZ0331

Sigma-Aldrich

ISOX-DUAL

≥98% (HPLC)

Synonym(s):

3-(4-(2-(5-(3,5-dimethylisoxazol-4-yl)-1-(2-morpholinoethyl)-1H-benzo[d]imidazol-2-yl)ethyl)phenoxy)-N,N-dimethylpropan-1-amine

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About This Item

Empirical Formula (Hill Notation):
C31H41N5O3
CAS Number:
Molecular Weight:
531.69
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.77

Quality Level

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 10 mg/mL, clear

storage temp.

room temp

SMILES string

CC1=NOC(C)=C1C2=CC(N=C(CCC3=CC=C(OCCCN(C)C)C=C3)N4CCN5CCOCC5)=C4C=C2

InChI

1S/C31H41N5O3/c1-23-31(24(2)39-33-23)26-9-12-29-28(22-26)32-30(36(29)16-15-35-17-20-37-21-18-35)13-8-25-6-10-27(11-7-25)38-19-5-14-34(3)4/h6-7,9-12,22H,5,8,13-21H2,1-4H3

InChI key

HCDQWCDANVEBQR-UHFFFAOYSA-N

Biochem/physiol Actions

ISOX-DUAL is a potent dual inhibitor of the bromodomain of CREB binding protein (CBP BRD) and bromodomain-containing protein 4 (BRD4).

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Certificates of Analysis (COA)

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