Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

SML2549

Sigma-Aldrich

MS645

≥98% (HPLC)

Synonym(s):

(S)-N,N′-(decane-1,10-diyl)bis(2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f] [1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamide)

Sign Into View Organizational & Contract Pricing

Select a Size

5 MG
€123.00
25 MG
€393.00

€123.00

Please contact Customer Service for Availability
Request a Bulk Order
All Photos(1)

Select a Size

Change View
5 MG
€123.00
25 MG
€393.00

About This Item

Empirical Formula (Hill Notation):
C48H54Cl2N10O2S2
CAS Number:
2250091-96-2
Molecular Weight:
938.04
UNSPSC Code:
12352200
NACRES:
NA.77

€123.00

Please contact Customer Service for Availability
Request a Bulk Order

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

−20°C

SMILES string

CC1=NN=C2N1C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N[C@H]2CC(NCCCCCCCCCCNC(C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5)=O)=O

InChI

1S/C48H54Cl2N10O2S2/c1-27-29(3)63-47-41(27)43(33-15-19-35(49)20-16-33)53-37(45-57-55-31(5)59(45)47)25-39(61)51-23-13-11-9-7-8-10-12-14-24-52-40(62)26-38-46-58-56-32(6)60(46)48-42(28(2)30(4)64-48)44(54-38)34-17-21-36(50)22-18-34/h15-22,37-38H,7-14,23-26H2,

InChI key

VFGPQYYCEGAFLY-UWXQCODUSA-N

Biochem/physiol Actions

MS645 is a cell penetrant bivalent bromodomain (BRD) inhibitor that inhibits the tandem BD1/BD2 of BRD4. It potently represses BRD4 transcriptional activity in solid-tumor cells including TNBC. MS645 potently inhibits IL-6 expression MDA-MB-231 cells. MS645 exhibits sustained blockade of BRD4 by inhibition of BRD4 interactions with transcription enhancer/mediator proteins MED1 and YY1.
cell penetrant bivalent bromodomain (BRD) inhibitor that inhibits the tandem BD1/BD2 of BRD4

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
0000066205
0000066206
0000061147

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Chunyan Ren et al.
Proceedings of the National Academy of Sciences of the United States of America, 115(31), 7949-7954 (2018-07-18)
The importance of BET protein BRD4 in gene transcription is well recognized through the study of chemical modulation of its characteristic tandem bromodomain (BrD) binding to lysine-acetylated histones and transcription factors. However, while monovalent inhibition of BRD4 by BET BrD

Questions

Reviews

No rating value

Active Filters

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service