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CHMFL-ABL/KIT-155

CAT: 0013-GTR19206231-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206231-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CHMFL-ABL/KIT-155 is a potent, orally bioavailable type II inhibitor targeting ABL and c-KIT kinases with IC50 values of 46 nM and 75 nM, respectively. It demonstrates robust anti-proliferative effects by inducing cell cycle arrest and apoptosis in relevant cancer cell lines, supporting its investigation in preclinical oncology research.
CAS Number
2081093-21-0
Field of Research
Cardiovascular Research, Cell Biology, Signal Transduction
Smiles
C (C1=C (C (F) (F) F) C=C (C (NC2=CC (OC3CCN (C (=O) C=4C=CC (C) =NC4) CC3) =C (C) C=C2) =O) C=C1) N5CCN (C) CC5
Molecular Formula
C33H38F3N5O3
Molecular Weight
609.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Chmfl-abl/kit-155
CAS Number2081093-21-0
PubChem CID132546210
IUPAC NameN-[4-methyl-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
Molecular FormulaC33H38F3N5O3
Molecular Weight609.7
XLogP4.7
Topological Polar Surface Area78
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count44
Formal Charge0
Complexity953
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)OC4CCN(CC4)C(=O)C5=CN=C(C=C5)C
InChI
InChI=1S/C33H38F3N5O3/c1-22-4-9-27(19-30(22)44-28-10-12-41(13-11-28)32(43)25-6-5-23(2)37-20-25)38-31(42)24-7-8-26(29(18-24)33(34,35)36)21-40-16-14-39(3)15-17-40/h4-9,18-20,28H,10-17,21H2,1-3H3,(H,38,42)
InChIKey
DQHVUKLVCBJBLM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chmfl-abl/kit-155
CAS: 2081093-21-0
CID: 132546210
Formula: C33H38F3N5O3
MW: 609.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.7
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass609.29267458
Monoisotopic Mass609.29267458
Topological Polar Surface Area78 Ų
Heavy Atom Count44
Formal Charge0
Complexity953
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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