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OXA-01

CAT: 0013-GTR19201612-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201612-01Size:1 mg
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Description
OXA-01 is a dual mTORC1 and mTORC2 inhibitor exhibiting potent activity with IC50 values of 29 nM and 7 nM, respectively. It demonstrates broad-spectrum anti-tumor efficacy in preclinical studies, supporting its investigation in cancer research for both in vitro mechanistic studies and in vivo xenograft models.
CAS Number
936889-68-8
Field of Research
Signal Transduction
Smiles
Nc1nccn2c (nc (-c3cc4cccc (Cl) c4[nH]3) c12) [C@H]1CC[C@@H] (CC1) C (O) =O
Molecular Formula
C21H20ClN5O2
Molecular Weight
409.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CAS Number936889-68-8
PubChem CID45276387
IUPAC Name4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
Molecular FormulaC21H20ClN5O2
Molecular Weight409.9
XLogP3.7
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity616
SMILES
C1CC(CCC1C2=NC(=C3N2C=CN=C3N)C4=CC5=C(N4)C(=CC=C5)Cl)C(=O)O
InChI
InChI=1S/C21H20ClN5O2/c22-14-3-1-2-13-10-15(25-16(13)14)17-18-19(23)24-8-9-27(18)20(26-17)11-4-6-12(7-5-11)21(28)29/h1-3,8-12,25H,4-7H2,(H2,23,24)(H,28,29)
InChIKey
UXCAKZGNKOZXBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CAS: 936889-68-8
CID: 45276387
Formula: C21H20ClN5O2
MW: 409.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.9
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass409.1305526
Monoisotopic Mass409.1305526
Topological Polar Surface Area109 Ų
Heavy Atom Count29
Formal Charge0
Complexity616
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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