TAK1 inhibitor

CAT: 0931-T67909-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T67909-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1326712-16-6

Target

Topoisomerase

Related Pathways

DNA Damage/DNA Repair

Bioactivity

TAK1 inhibitor is an inhibitor, which can inhibit MCF-7, A549, DU-145 and MDA MB-231, with IC50 of 0.021, 0.14, 0.064 and 0.19, respectively. TAK1 inhibitor showed good antibacterial activity with microphones ranging from 93.7 to 46.9μg/mL and from 7.8 to 5.8μg/mL.

Smiles

ClC=1C2=C(C=NC(N)=C2OC1C3=C4C(=CC=C3)N=NS4)C5=CN(N=C5)[C@@H]6CC[C@@H](O)CC6

Molecular Formula

C22H19ClN6O2S

Molecular Weight

466.94

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Trans-4-{4-[7-Amino-2-(1,2,3-Benzothiadiazol-7-Yl)-3-Chlorofuro[2,3-C]pyridin-4-Yl]-1h-Pyrazol-1-Yl}cyclohexanol

CAS Number	1326712-16-6
PubChem CID	66760355
IUPAC Name	4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
Molecular Formula	C22H19ClN6O2S
Molecular Weight	466.9
XLogP	3.6
Topological Polar Surface Area	144
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	32
Formal Charge	0
Complexity	672

SMILES

C1CC(CCC1N2C=C(C=N2)C3=CN=C(C4=C3C(=C(O4)C5=C6C(=CC=C5)N=NS6)Cl)N)O

InChI

InChI=1S/C22H19ClN6O2S/c23-18-17-15(11-8-26-29(10-11)12-4-6-13(30)7-5-12)9-25-22(24)20(17)31-19(18)14-2-1-3-16-21(14)32-28-27-16/h1-3,8-10,12-13,30H,4-7H2,(H2,24,25)

InChIKey

IXXBWYJJOYSCNJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1326712-16-6

CID: 66760355

Formula: C22H19ClN6O2S

MW: 466.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	466.9
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	466.0978727
Monoisotopic Mass	466.0978727
Topological Polar Surface Area	144 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	672
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TAK1 inhibitor

Chemical Information

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