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M1069 (free base)

CAT: 0804-HY-148088A-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148088A-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
M1069 (free base) is a selective and orall active, dual A2A/A2B adenosine receptor antagonist with a selectivity of >100 fold against the A1 and A3 receptors. M1069 (free base) counteracts immune-suppressive mechanisms of adenosine, and exhibits anti-tumor activity[1][2][3].
CAS Number
2459881-03-7
UNSPSC
12352005
Target
Adenosine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/m1069-free-base.html
Purity
98.92
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
COC1=C2C(SC(NC(N3C[C@]4(CCCOC4)CC3)=O)=N2)=C(C5=CCOCC5)C=N1
Molecular Formula
C21H26N4O4S
Molecular Weight
430.52
References & Citations
[1]Rinat Zaynagetdinov, et al. Abstract 3499: M1069 as dual A2A/A2B adenosine receptor antagonist counteracts immune-suppressive mechanisms of adenosine and reduces tumor growth in vivo. Cancer Res (2022) 82 (12_Supplement) :3499.|[2]Tanzer Eva-Maria, et al. Preparation of thiazolopyridine derivatives as adenosine receptor antagonists: World Intellectual Property Organization, WO2020152132[P]. 2020-07-30.|[3]Lillian L Siu, et al. Abstract CT240: A first-in-human study of the dual A2A/A2B adenosine receptor antagonist M1069 in patients with advanced solid tumors. Cancer Res (2022) 82 (12_Supplement) :CT240.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

M1069 (free base)

Muvadenant is a small molecule drug. The usage of the INN stem '-adenant' in the name indicates that Muvadenant is a adenosin receptor antagonist. Muvadenant has a monoisotopic molecular weight of 430.17 Da.

CAS Number2459881-03-7
PubChem CID154659422
IUPAC Name(5S)-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
Molecular FormulaC21H26N4O4S
Molecular Weight430.5
XLogP1.7
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity679
SMILES
COC1=NC=C(C2=C1N=C(S2)NC(=O)N3CC[C@]4(C3)CCCOC4)C5=CCOCC5
InChI
InChI=1S/C21H26N4O4S/c1-27-18-16-17(15(11-22-18)14-3-9-28-10-4-14)30-19(23-16)24-20(26)25-7-6-21(12-25)5-2-8-29-13-21/h3,11H,2,4-10,12-13H2,1H3,(H,23,24,26)/t21-/m0/s1
InChIKey
CSSAKLQGJYJMNW-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of M1069 (free base)
CAS: 2459881-03-7
CID: 154659422
Formula: C21H26N4O4S
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass430.16747650
Monoisotopic Mass430.16747650
Topological Polar Surface Area114 Ų
Heavy Atom Count30
Formal Charge0
Complexity679
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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