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AZD3965

CAT: 1568-C12620-10mM/1mLSize: 10 mm/ 1 mLDry Ice: YesHazardous: No
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CAT#:1568-C12620-10mM/1mLSize:10 mm/ 1 mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1448671-31-5
Target
MCT
Applications
Transmembrane Transporters
Smiles
CC1=C (C (=NN1) C (F) (F) F) CC2=C (C3=C (S2) N (C (=O) N (C3=O) C) C (C) C) C (=O) N4CC (CO4) (C) O
Molecular Formula
C21H24F3N5O5S
Additionnal Information
AZD3965 is a potent, selective and orally available monocarboxylate transporter 1 (MCT1) inhibitor with a binding affinity of 1.6 nM, 6-fold selective over MCT2. Phase 1.
Storage Conditions
2 years -80 in solvent

Chemical Information

Azd-3965

Monocarboxylate Transporter 1 Inhibitor AZD3965 is an orally available inhibitor of monocarboxylate transporter 1 (MCT1), with potential antineoplastic activity. Upon oral administration, MCT1 inhibitor AZD3965 binds to MCT1 and prevents the transport of lactate into and out of the cell. This leads to an accumulation of lactate, intracellular acidification, and eventually cancer cell death. MCT1, a protein overexpressed on tumor cells, is responsible for the transport of monocarboxylates across the cell membrane and plays a key role in cell metabolism.

CAS Number1448671-31-5
PubChem CID10369242
IUPAC Name5-[(4S)-4-hydroxy-4-methyl-1,2-oxazolidine-2-carbonyl]-3-methyl-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione
Molecular FormulaC21H24F3N5O5S
Molecular Weight515.5
XLogP2
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity894
SMILES
CC1=C(C(=NN1)C(F)(F)F)CC2=C(C3=C(S2)N(C(=O)N(C3=O)C)C(C)C)C(=O)N4C[C@](CO4)(C)O
InChI
InChI=1S/C21H24F3N5O5S/c1-9(2)29-18-14(16(30)27(5)19(29)32)13(17(31)28-7-20(4,33)8-34-28)12(35-18)6-11-10(3)25-26-15(11)21(22,23)24/h9,33H,6-8H2,1-5H3,(H,25,26)/t20-/m0/s1
InChIKey
PRNXOFBDXNTIFG-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of Azd-3965
CAS: 1448671-31-5
CID: 10369242
Formula: C21H24F3N5O5S
MW: 515.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.5
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass515.14502454
Monoisotopic Mass515.14502454
Topological Polar Surface Area147 Ų
Heavy Atom Count35
Formal Charge0
Complexity894
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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