Products for Research Use Only
RegisterLogin

I-BET 762

CAT: 0926-FG137683-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FG137683-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1260907-17-2
Synonyms
GSK 525762A; Molibresib
MDL Number
MFCD22417091
Smiles
CCNC (=O) C[C@@H]1N=C (c2ccc (Cl) cc2) c3cc (OC) ccc3n4c (C) nnc14
Molecular Formula
C22H22ClN5O2
Molecular Weight
423.9 g/mol
Controlled
Yes

Chemical Information

(4S)-6-(4-Chlorophenyl)-N-ethyl-8-methoxy-1-methyl-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine-4-acetamide

Molibresib is a member of the class of triazolobenzodiazepine that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine substituted by methyl, 2-(ethylamino)-2-oxoethyl, 4-chlorophenyl, and methoxy groups at positions 1, 4S, 6, and 8, respectively. It is an orally bioavailable inhibitor of BET family of proteins that has demonstrated antitumour activity in preclinical models of solid and hematologic malignancies. It has a role as a bromodomain-containing protein 4 inhibitor, an antineoplastic agent and an apoptosis inducer. It is a secondary carboxamide, a triazolobenzodiazepine, an aromatic ether and a member of monochlorobenzenes.

CAS Number1260907-17-2
PubChem CID46943432
IUPAC Name2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
Molecular FormulaC22H22ClN5O2
Molecular Weight423.9
XLogP2.9
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity639
SMILES
CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
InChIKey
AAAQFGUYHFJNHI-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of (4S)-6-(4-Chlorophenyl)-N-ethyl-8-methoxy-1-methyl-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine-4-acetamide
CAS: 1260907-17-2
CID: 46943432
Formula: C22H22ClN5O2
MW: 423.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.9
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass423.1462027
Monoisotopic Mass423.1462027
Topological Polar Surface Area81.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity639
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

Related Products

CatalogName
FD43075-01I-BET 151
BI162773-01I-BET 151 dihydrochloride
70R-51409BET antibody
BXC50393-01BET-IN-4
KHD57382-01Mt1 bet inhibitor
NNC52178-01BET-BAY 002
VAC-00742-01Beta I probe
VAC-00228-01Scyliorhinin I, Scy I
TID38777-01Protac bet-binding moiety 1
KRC11738-01BET BRD4 inhibitor compound II-25

Alternative Products

CatalogName
B1498-10I-BET-762
6521/5I-BET 762
525336I-BET-726
TRC-I120050-5MGI-BET 151
SC0069-10mMI-BET-762 (GSK525762)
S7189-10mgMolibresib (I-BET-762)
4650/50I-BET 151 hydrochloride
452131-01I-BET 151 Dihydrochloride

Popular Products