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IBL-302

CAT: 0804-HY-157169-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-157169-01Size:1 mg
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Description
IBL-302 (AMU302) is an orally available dual-signaling inhibitor of PIM and PI3K/AKT/mTOR with activity against breast cancer and neuroblastoma. IBL-302 demonstrated in vivo efficacy in a nude mouse xenograft model, inhibiting trastuzumab resistance challenges. IBL-302 also enhances the effects of common cytotoxic chemotherapy drugs cisplatin (HY-17394), doxorubicin (HY-15142A), and etoposide (HY-13629)[2][3].
CAS Number
1414455-21-2
Product Name Alternative
AMU302
UNSPSC
12352005
Target
Akt; mTOR; PI3K; Pim
Type
Reference compound
Related Pathways
JAK/STAT Signaling; PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ibl-302.html
Purity
98.21
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC1=C(C(C=C2N[S](=O)(C(C=C3)=C4)=O)=CN=C2OC)SC5=C1N=CN=C5C6=CC=C(CNC(C4=C3F)=O)S6
Molecular Formula
C25H18FN5O4S3
Molecular Weight
567.63
References & Citations
[1]Kennedy SP et al. Preclinical evaluation of a novel triple-acting PIM/PI3K/mTOR inhibitor, IBL-302, in breast cancer. Oncogene. 2020 Apr;39 (14) :3028-3040.|[2]Martínez-González S, et al. Macrocyclization as a Source of Desired Polypharmacology. Discovery of Triple PI3K/mTOR/PIM Inhibitors. ACS Med Chem Lett. 2021 Nov 2;12 (11) :1794-1801.|[3]Kennedy S P, et al. Evaluation of dual-acting PIM/PI3K inhibitor IBL-302 in preclinical breast cancer models[J]. Cancer Research, 2018, 78 (13_Supplement) : 2932-2932.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Aum-302

triple kinase inhibitor

CAS Number1414455-21-2
PubChem CID71041971
IUPAC Name18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22lambda6,30-trithia-6,8,15,23,26-pentazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one
Molecular FormulaC25H18FN5O4S3
Molecular Weight567.6
XLogP3.5
Topological Polar Surface Area188
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count1
Heavy Atom Count38
Formal Charge0
Complexity989
SMILES
CC1=C2C3=CC(=C(N=C3)OC)NS(=O)(=O)C4=CC(=C(C=C4)F)C(=O)NCC5=CC=C(S5)C6=NC=NC1=C6S2
InChI
InChI=1S/C25H18FN5O4S3/c1-12-20-23-21(30-11-29-20)19-6-3-14(36-19)10-27-24(32)16-8-15(4-5-17(16)26)38(33,34)31-18-7-13(22(12)37-23)9-28-25(18)35-2/h3-9,11,31H,10H2,1-2H3,(H,27,32)
InChIKey
WHJIHZSXTQRCNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aum-302
CAS: 1414455-21-2
CID: 71041971
Formula: C25H18FN5O4S3
MW: 567.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.6
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count1
Exact Mass567.05049576
Monoisotopic Mass567.05049576
Topological Polar Surface Area188 Ų
Heavy Atom Count38
Formal Charge0
Complexity989
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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