TAK1/MAP4K2 inhibitor 1 - ≥98% , CAS No.1315330-11-0

CAS: 1315330-11-0 Cat. No.: T648184 Molecular Weight: 552.59 PubChem CID: 71254032

GRADE & PURITY ≥98%

Synonyms

AKOS016012030 | n-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-4-methyl-3-((6-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)benzamide | F84885 | BenzaMide, N-[4-[(4-ethyl-1-piperazinyl)Methyl]-3-(trifluoroMethyl)phenyl]-4-Methyl-3-[(6-Methyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

TAK1/MAP4K2 inhibitor 1 is a potent dual TGFβ-activated kinase 1 ( TAK1 ) and mitogen-activated protein kinase kinase kinase kinase 2 ( MAP4K2 ) inhibitor, with IC 50 s of 41.1 nM and 18.2 nM, respectively.

In Vivo

TAK1/MAP4K2 inhibitor 1 has moderate terminal elimination half-life (t 1/2 =2.94 h for mice (1 mg/kg, iv)) . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:TAK1 41.1 nM (IC 50 ) MAP4K2 18.2 nM (IC 50 )

Specifications

Synonyms

AKOS016012030 | n-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-4-methyl-3-((6-methyl-7h-pyrrolo[2, 3-d]pyrimidin-4-yl)oxy)benzamide | F84885 | BenzaMide, N-[4-[(4-ethyl-1-piperazinyl)Methyl]-3-(trifluoroMethyl)phenyl]-4-Methyl-3-[(6-Methyl

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

TAK1/MAP4K2 inhibitor 1 is a potent dual TGFβ-activated kinase 1 ( TAK1 ) and mitogen-activated protein kinase kinase kinase kinase 2 ( MAP4K2 ) inhibitor, with IC 50 s of 41.1 nM and 18.2 nM, respectively.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=NC=NC5=C4C=C(N5)C)C(F)(F)F
• IUPAC Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]benzamide
• InChIKey: RWNAOXLCVXJMGM-UHFFFAOYSA-N
• INCHI: 1S/C29H31F3N6O2/c1-4-37-9-11-38(12-10-37)16-21-7-8-22(15-24(21)29(30,31)32)36-27(39)20-6-5-18(2)25(14-20)40-28-23-13-19(3)35-26(23)33-17-34-28/h5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,36,39)(H,33,34,35)
• Isomeric SMILES: CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=NC=NC5=C4C=C(N5)C)C(F)(F)F
• Alternate CAS: 1315330-11-0
• PubChem CID: 71254032
• Molecular Weight: 552.59

Chemical and Physical Properties

• Solubility: DMSO : 50 mg/mL (90.48 mM; Need ultrasonic)
• Molecular Weight: 552.600 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 552.246 Da
• Monoisotopic Mass: 552.246 Da
• Topological Polar Surface Area: 86.400 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 841.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1