Products 1604810-83-4

CAS 1604810-83-4 appears in our catalog under these names: Benzamide, N-[3-[[5-chloro-4-(1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-4-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-, 98%, N-[3-[[5-Chloro-4-(1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-4-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]benzamide, 99.12% ,, 99.12% ,, THZ1, THZ1/ 99.12% (existing batch purity), THZ1 Hydrochloride. Offered by: Fluorochem, Chemat, TRC, TargetMol, GLPBio. Available pack sizes: 5mg, 10mg, 25mg, 50mg, 100mg, 1mg, 10mM (in 1ml dmso), 25 mg.

Structural formula: {0} (CAS {1})

THZ1 is a member of the class of indoles that is 1H-indole substituted by a 5-chloro-2-[3-(4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}benzamido)anilino]pyrimidin-4-yl group at position 3. It is a selective and potent covalent inhibitor of CDK7 that exhibits anti-proliferative effects in cancer cell lines. It has a role as an antineoplastic agent and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a secondary carboxamide, a member of benzamides, a member of indoles, an organochlorine compound, an aminopyrimidine and an enamide.

Source: ChEBI

Identity
Molecular formulaC31H28ClN7O2
Molecular weight566.1 g/mol
IUPAC nameN-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
InChIKeyOBJNFLYHUXWUPF-IZZDOVSWSA-N
SMILESCN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl

Computed by PubChem (NCBI)

Synonyms: orb1303940