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AZD0022

CAT: 0957-E6405Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-E6405Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZD0022 is a potent, orally bioavailable, selective, reversible inhibitor of KRASG12D that drives robust pathway inhibition and anti-tumour activity in KRASG12D models.
CAS Number
2958627-18-2
Target
Ras
Activity
Apoptosis
Molecular Formula
C34H30F4N6O

Chemical Information

4-(4-(3,8-diazabicyclo[3.2.1]oct-6-en-3-yl)-6,8-difluoro-2-((2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-amine
CAS Number2958627-18-2
PubChem CID176455489
IUPAC Name4-[4-(3,8-diazabicyclo[3.2.1]oct-6-en-3-yl)-6,8-difluoro-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]quinazolin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-amine
Molecular FormulaC34H30F4N6O
Molecular Weight614.6
XLogP5.6
Topological Polar Surface Area79.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count45
Formal Charge0
Complexity1170
SMILES
C#CC1=C(C=CC2=CC(=CC(=C21)C3=C(C=C4C(=C3F)N=C(N=C4N5CC6C=CC(C5)N6)OCC78CCCN7CC(C8)F)F)N)F
InChI
InChI=1S/C34H30F4N6O/c1-2-23-26(36)7-4-18-10-20(39)11-24(28(18)23)29-27(37)12-25-31(30(29)38)41-33(42-32(25)43-15-21-5-6-22(16-43)40-21)45-17-34-8-3-9-44(34)14-19(35)13-34/h1,4-7,10-12,19,21-22,40H,3,8-9,13-17,39H2
InChIKey
HLFQZDAHMCQMND-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-(3,8-diazabicyclo[3.2.1]oct-6-en-3-yl)-6,8-difluoro-2-((2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-amine
CAS: 2958627-18-2
CID: 176455489
Formula: C34H30F4N6O
MW: 614.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight614.6
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass614.24172225
Monoisotopic Mass614.24172225
Topological Polar Surface Area79.5 Ų
Heavy Atom Count45
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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