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AZD0022

CAT: 0804-HY-173637-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-173637-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZD0022 is a selective and orally active KRASG12D inhibitor. AZD0022 inhibits KRAS pathway suppression in the GP2D xenograft model[1].
CAS Number
2958627-18-2
UNSPSC
12352005
Target
Ras
Related Pathways
GPCR/G Protein; MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Purity
98.36
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
FC1=C(C#C)C2=[C@]([C@]3=C(F)C(N=C(OC[C@]4(C[C@@H](F)C5)N5CCC4)N=C6N7C[C@H]8N[C@H](C=C8)C7)=C6C=C3F)C=C(N)C=C2C=C1
Molecular Formula
C34H30F4N6O
Molecular Weight
614.64
References & Citations
[1]Kevin Beaumont, et al. Abstract 841: The preclinical pharmacokinetics and pharmacodynamics of AZD0022: A potent, oral KRASG12D-selective agent exhibiting oral bioavailability and KRAS pathway suppression in the GP2D xenograft model. Cancer Res (2025) 85 (8_Supplement_1) : 841.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
K-Ras

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
Loading 3D structure...
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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