Products for Research Use Only
RegisterLogin

GSK778 hydrochloride

CAT: 0931-T9703L-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T9703L-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2863657-79-6
Target
Apoptosis, Epigenetic Reader Domain
Related Pathways
Apoptosis, Chromatin/Epigenetic
Purity
0.9835
Bioactivity
GSK778 hydrochloride hydrochloride is a potent and selective BD1 bromodomain inhibitor of the BET proteins, with IC50s of 75 nM (BRD2 BD1), 41 nM (BRD3 BD1), 41 nM (BRD4 BD1), and 143 nM (BRDT BD1), respectively. GSK778 hydrochloride hydrochloride phenocopies the effects of pan-BET inhibitors in cancer models[1].
Smiles
C[C@@H](N1C(COC)=NC2=C1C3=CC(OC[C@@H]4CNCC4)=C(C5=C(C)ON=C5C)C=C3N=C2)C6=CC=CC=C6.[H]Cl
Molecular Formula
C30H34ClN5O3
Molecular Weight
548.08
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

GSK778 hydrochloride
CAS Number2863657-79-6
PubChem CID168013350
IUPAC Name4-[2-(methoxymethyl)-1-[(1R)-1-phenylethyl]-8-[[(3S)-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;hydrochloride
Molecular FormulaC30H34ClN5O3
Molecular Weight548.1
Topological Polar Surface Area87.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity768
SMILES
CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=N4)COC)[C@H](C)C5=CC=CC=C5)OC[C@H]6CCNC6.Cl
InChI
InChI=1S/C30H33N5O3.ClH/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22;/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3;1H/t19-,21+;/m1./s1
InChIKey
QDTGJCBOHUHPED-DGXMUYMBSA-N
Chemical Structure
2D Structure
2D structure of GSK778 hydrochloride
CAS: 2863657-79-6
CID: 168013350
Formula: C30H34ClN5O3
MW: 548.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass547.2350177
Monoisotopic Mass547.2350177
Topological Polar Surface Area87.2 Ų
Heavy Atom Count39
Formal Charge0
Complexity768
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
T9703-01GSK778
T77217Saccharopine hydrochloride
T23379-01Solifenacin hydrochloride
T38447-01BN82002 hydrochloride
T40896Bromchlorbuterol hydrochloride
T33939-01Dagrocorat hydrochloride
T36365-01KAPA hydrochloride
T0204Protriptyline hydrochloride
T12877-01Seltorexant hydrochloride
T24181-01Isothipendyl hydrochloride

Alternative Products

CatalogName
HY-136570AGSK778 (hydrochloride)
MBS5786507GSK778 hydrochloride
BA2773-10GSK778
S9683-5mgGSK778 (iBET-BD1)
300563Ligustrazine Hydrochloride (Chuanxiongzine hydrochloride)
D3190-91GDeoxynojirimycin Hydrochloride (DNJ Hydrochloride)
OR1043462-01Hydrochloride
MBS6103001-01O-Cyclopropylmethyl-hydroxylamine, Hydrochloride (Cyclopropylmethoxyamine, Hydrochloride, Cyclopropylmethoxylamine, Hydrochloride)
C7050-01Cysteamine hydrochloride; 2-AminoeThanethiol Hydrochloride; 2-Aminoethane-1-Thiol Hydrochloride; Mercaptamine Hydrochloride

Popular Products