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Envonalkib

CAT: 1568-C01916-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01916-5mgSize:5 mg
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CAS Number
1621519-26-3
Synonyms
TQ-B3139, CT-71, Formula 1
Target
ALK
Applications
Protein Tyrosine Kinase
Molecular Formula
C24H26Cl2FN5O2
Additionnal Information
Envonalkib (TQ-B3139, CT-71, Formula 1) is a potent and orally active inhibitor of ALK, that exhibits IC50 values of 1.96 nM, 35.1 nM, and 61.3 nM for wild-type and mutated L1196M and G1269S-ALK. Envonalkib is also used in the research of non-small cell lung cancer.

Chemical Information

Envonalkib

Envonalkib is a small molecule drug. The usage of the INN stem '-alkib' in the name indicates that Envonalkib is a ALK (anaplastic lymphoma kinase) inhibitor. Envonalkib has a monoisotopic molecular weight of 505.14 Da.

CAS Number1621519-26-3
PubChem CID76899983
IUPAC Name3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-3-pyridinyl]pyridin-2-amine
Molecular FormulaC24H26Cl2FN5O2
Molecular Weight506.4
XLogP4.5
Topological Polar Surface Area85.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity654
SMILES
C[C@H]1CNCCN1C2=NC=C(C(=C2)OC)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl
InChI
InChI=1S/C24H26Cl2FN5O2/c1-13-10-29-6-7-32(13)21-9-19(33-3)16(12-30-21)15-8-20(24(28)31-11-15)34-14(2)22-17(25)4-5-18(27)23(22)26/h4-5,8-9,11-14,29H,6-7,10H2,1-3H3,(H2,28,31)/t13-,14+/m0/s1
InChIKey
BVGDAZBTIVRTGO-UONOGXRCSA-N
Chemical Structure
2D Structure
2D structure of Envonalkib
CAS: 1621519-26-3
CID: 76899983
Formula: C24H26Cl2FN5O2
MW: 506.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.4
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass505.1447586
Monoisotopic Mass505.1447586
Topological Polar Surface Area85.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity654
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
E1865-100mgEnvonalkib
HY-145566AEnvonalkib (citrate)

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