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AZD0095

CAT: 0804-HY-148517-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148517-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZD0095 is a selective and orally active MCT4 inhibitor (IC50: 1.3 nM). AZD0095 effectively inhibits the tumor growth in NCI-H358 xenograft in combination with Cediranib.
CAS Number
2750001-23-9
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Monocarboxylate Transporter
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/azd0095.html
Purity
99.42
Solubility
DMSO : 10 mg/mL (ultrasonic)
Smiles
CC1=C(O[C@H]2CN(C3=CC=C(C4=NN=C(CN5CCOCC5)C=C4)C=C3)CC2)C(C)=NC6=NC(C)=NN16
Molecular Formula
C27H32N8O2
Molecular Weight
500.60
Precautions
H315, H319, H335
References & Citations
[1]Goldberg FW, et al. Discovery of Clinical Candidate AZD0095, a Selective Inhibitor of Monocarboxylate Transporter 4 (MCT4) for Oncology. J Med Chem. 2022 Dec 16.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MCT4

Chemical Information

4-[(6-{4-[(3R)-3-({2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}oxy)pyrrolidin-1-yl]phenyl}pyridazin-3-yl)methyl]morpholine
CAS Number2750001-23-9
PubChem CID146241312
IUPAC Name4-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]morpholine
Molecular FormulaC27H32N8O2
Molecular Weight500.6
XLogP2.4
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity733
SMILES
CC1=C(C(=NC2=NC(=NN12)C)C)O[C@@H]3CCN(C3)C4=CC=C(C=C4)C5=NN=C(C=C5)CN6CCOCC6
InChI
InChI=1S/C27H32N8O2/c1-18-26(19(2)35-27(28-18)29-20(3)32-35)37-24-10-11-34(17-24)23-7-4-21(5-8-23)25-9-6-22(30-31-25)16-33-12-14-36-15-13-33/h4-9,24H,10-17H2,1-3H3/t24-/m1/s1
InChIKey
PHDAGSZQGNWGFE-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of 4-[(6-{4-[(3R)-3-({2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}oxy)pyrrolidin-1-yl]phenyl}pyridazin-3-yl)methyl]morpholine
CAS: 2750001-23-9
CID: 146241312
Formula: C27H32N8O2
MW: 500.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.6
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass500.26482229
Monoisotopic Mass500.26482229
Topological Polar Surface Area93.8 Ų
Heavy Atom Count37
Formal Charge0
Complexity733
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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