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KRCA-0713

CAT: 0013-GTR19197351-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197351-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KRCA-0713 is a potent and selective small molecule inhibitor of anaplastic lymphoma kinase (ALK) . It is a valuable research tool for investigating ALK-driven pathologies, such as non-small cell lung cancer, in both in vitro cellular assays and in vivo preclinical models.
CAS Number
1884321-89-4
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
CC1 (C) C=2C (=CC (NC=3N=C (NC4=C (S (C (C) C) (=O) =O) C=CC=C4) C (Cl) =CN3) =C (OC) C2) CCC1N
Molecular Formula
C26H32ClN5O3S
Molecular Weight
530.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-N-(6-amino-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CAS Number1884321-89-4
PubChem CID127032122
IUPAC Name2-N-(6-amino-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
Molecular FormulaC26H32ClN5O3S
Molecular Weight530.1
XLogP5.8
Topological Polar Surface Area128
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity838
SMILES
CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C4C(=C3)CCC(C4(C)C)N)OC
InChI
InChI=1S/C26H32ClN5O3S/c1-15(2)36(33,34)22-9-7-6-8-19(22)30-24-18(27)14-29-25(32-24)31-20-12-16-10-11-23(28)26(3,4)17(16)13-21(20)35-5/h6-9,12-15,23H,10-11,28H2,1-5H3,(H2,29,30,31,32)
InChIKey
WMLFTPJTSQTLNL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-N-(6-amino-3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CAS: 1884321-89-4
CID: 127032122
Formula: C26H32ClN5O3S
MW: 530.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.1
XLogP35.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass529.1914388
Monoisotopic Mass529.1914388
Topological Polar Surface Area128 Ų
Heavy Atom Count36
Formal Charge0
Complexity838
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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