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(+) -JQ1

CAT: 1568-C12450-05Size: 1 gDry Ice: YesHazardous: No
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CAT#:1568-C12450-05Size:1 g
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CAS Number
1268524-70-4
SKU
C12450-10mg
Target
Epigenetic Reader Domain
Applications
Epigenetics
Smiles
CC1=C (SC2=C1C (=NC (C3=NN=C (N32) C) CC (=O) OC (C) (C) C) C4=CC=C (C=C4) Cl) C
Molecular Formula
C23H25ClN4O2S
Additionnal Information
(+) -JQ1 is a BET bromodomain inhibitor, with IC50 of 77 nM/33 nM for BRD4 (1/2) in cell-free assays, binding to all bromodomains of the BET family, but not to bromodomains outside the BET family. (+) -JQ1 suppresses cell proliferation via inducing autophagy. (+) -JQ1 inhibits the expression of Nuclear receptor binding SET domain protein 3 (NSD3) target genes.
Storage Conditions
2 years -80 in solvent

Chemical Information

JQ1 compound

JQ1 is a member of the class of thienotriazolodiazepines that is the tert-butyl ester of [(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]acetic acid. An inhibitor of bromodomain-containing protein 4 that exhibits anti-cancer and cardioprotective properties. It has a role as a bromodomain-containing protein 4 inhibitor, a ferroptosis inducer, an antineoplastic agent, an angiogenesis inhibitor, an anti-inflammatory agent, an apoptosis inducer and a cardioprotective agent. It is a tert-butyl ester, a carboxylic ester, an organochlorine compound and a thienotriazolodiazepine.

CAS Number1268524-70-4
PubChem CID46907787
IUPAC Nametert-butyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
Molecular FormulaC23H25ClN4O2S
Molecular Weight457.0
XLogP4.9
Topological Polar Surface Area97.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity706
SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
InChIKey
DNVXATUJJDPFDM-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of JQ1 compound
CAS: 1268524-70-4
CID: 46907787
Formula: C23H25ClN4O2S
MW: 457.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.0
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass456.1386749
Monoisotopic Mass456.1386749
Topological Polar Surface Area97.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity706
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
A8181-100(-)-JQ1
HY-137075-01(±) -JQ1
S7110-25mg(+) -JQ1
sc-472932(+/-) -JQ1
bs-82200C-01JQ1 (+/-)
4499/10(+)-JQ1
bs-82331C-01JQ1 (+)
TAC52471-01(-) -JQ1
MBS3601126-01JQ1

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