 Home > Encyclopedia > TAK-632

TAK-632

TAK-632 structure

CAS No:
1228591-30-7
Formula:
C27H18F4N4O3S
Chemical Name:
TAK-632
Synonyms:
TAK-632;N-[7-Cyano-6-[4-fluoro-3-[[[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;TAK-0632;N-[7-Cyano-6-[4-fluoro-3-[[[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide TAK632;TAK 632N-[7-Cyano-6-[4-fluoro-3-[[[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;TAK-632, >=98%;TAK2 63 (Free base);TAK632 (Free base)
Categories:
Biochemical Engineering > Inhibitors

Description

TAK-632 is a member of the class of benzothiazoles that is 1,3-benzothiazole substituted by (cyclopropanecarbonyl)amino, 4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy, and cyano groups at positions 2, 6 and 7, respectively. It is a potent pan-RAF inhibitor with IC50 of 1.4, 2.4 and 8.3 nM for CRAF, BRAF(V600E), BRAF(WT), respectively. It has a role as a necroptosis inhibitor, a B-Raf inhibitor, an EC 2.7.11.26 (tau-protein kinase) inhibitor, an antineoplastic agent and an apoptosis inducer. It is a member of monofluorobenzenes, a member of benzothiazoles, an aromatic ether, a secondary carboxamide, a member of (trifluoromethyl)benzenes, a nitrile and a cyclopropylcarboxamide.

TAK-632 Basic Attributes

Molecular Weight：

554.5154328

Exact Mass：

554.104

EC Number：

-0

Characteristics

PSA：

132

XLogP3：

5.3

Density：

1.52±0.1 g/cm3(Predicted)

Drug Information

MeSH Entry Terms：

N-(7-Cyano-6-(4-fluoro-3-(2-(3-(trifluoromethyl)phenyl)acetamido)phenoxy)benzo(d)thiazol-2-yl)cyclopropanecarboxamide

Computed Properties

Molecular Weight:554.5
XLogP3:5.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:554.10357427
Monoisotopic Mass:554.10357427
Topological Polar Surface Area:132
Heavy Atom Count:39
Complexity:957
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes