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DA-0157

CAT: 0013-GTR19250534-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250534-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DA-0157 is a dual EGFR/ALK inhibitor designed to combat resistance mutations in NSCLC, showing potent in vitro activity against models like EGFR Del19/T790M/C797S and ALK-L1196M. It demonstrates oral bioavailability and antitumor efficacy in mouse models, supporting its use in preclinical oncology research.
CAS Number
2756978-82-0
Field of Research
Cardiovascular Research, Metabolism Research, Signal Transduction
Smiles
O=P (C1=CC (=CC=C1NC2=NC (=NC=C2Br) NC=3C=C (C (=CC3OC) N4CCC (N5CCN (C) CC5) CC4) C) C) (C) C
Molecular Formula
C31H43BrN7O2P
Molecular Weight
656.597
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-bromo-4-N-(2-dimethylphosphoryl-4-methylphenyl)-2-N-[2-methoxy-5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
CAS Number2756978-82-0
PubChem CID166930932
IUPAC Name5-bromo-4-N-(2-dimethylphosphoryl-4-methylphenyl)-2-N-[2-methoxy-5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
Molecular FormulaC31H43BrN7O2P
Molecular Weight656.6
XLogP5.4
Topological Polar Surface Area85.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity897
SMILES
CC1=CC(=C(C=C1)NC2=NC(=NC=C2Br)NC3=C(C=C(C(=C3)C)N4CCC(CC4)N5CCN(CC5)C)OC)P(=O)(C)C
InChI
InChI=1S/C31H43BrN7O2P/c1-21-7-8-25(29(17-21)42(5,6)40)34-30-24(32)20-33-31(36-30)35-26-18-22(2)27(19-28(26)41-4)39-11-9-23(10-12-39)38-15-13-37(3)14-16-38/h7-8,17-20,23H,9-16H2,1-6H3,(H2,33,34,35,36)
InChIKey
CFKDUEIETGGIRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-bromo-4-N-(2-dimethylphosphoryl-4-methylphenyl)-2-N-[2-methoxy-5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
CAS: 2756978-82-0
CID: 166930932
Formula: C31H43BrN7O2P
MW: 656.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight656.6
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass655.23992
Monoisotopic Mass655.23992
Topological Polar Surface Area85.9 Ų
Heavy Atom Count42
Formal Charge0
Complexity897
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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