CC-115 hydrochloride - ≥98% , CAS No.1300118-55-1

CAS: 1300118-55-1 Cat. No.: C646533 Molecular Weight: 372.81 PubChem CID: 67153895

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

CC-115 hydrochloride is a potent and dual DNA-PK and mTOR kinase inhibitor with IC 50 s of 13 nM and 21 nM, respectively. CC-115 blocks both mTORC1 and mTORC2 signaling.

In Vitro

CC-115 inhibits PC-3 cells proliferation with an IC 50 of 138 nM. In a kinase selectivity assessment against a panel of 250 protein kinases at 3 μM, only one kinase other than mTOR kinase is identified with more than 50% inhibition (cFMS 57%, IC 50 =2.0 μM). Of the PI3K related kinases (PIKKs) tested, CC-115 proves to be equipotent against DNA PK (IC 50 =15 nM) and demonstrates 40 to >1000 fold selectivity against the remaining PIKKs tested; PI3K-alpha (IC 50 =0.85 μM), ATR (50% inhibition at 30 μM) and ATM (IC 50 >30 μM). The IC 50 values for CC-115 are >10 μM against a panel of CYP enzymes and >33 μM for the hERG (human ether-a-go-go-related gene) ion channel. When screened in a single point assay at 10 μM against a Cerep receptor and enzyme panel only one target is inhibited >50% (PDE3, IC 50 =0.63 μM). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

CC-115 hydrochloride shows good in vivo PK profiles across multiple species with 53%, 76% and ~100% oral bioavailability in mouse, rat and dog, respectively. CC-115 is tested at lower doses of 0.25, 0.5 and 1 mg/kg bid or 1 mg/kg qd, with observed corresponding tumor volume reductions of 46%, 57%, 66% and 57% respectively. CC-115 sustains inhibition though 24 hours. At the 1 mg/kg dose CC-115 shows significant inhibition at 1 and 3 hours, CC-115 demonstrating inhibition through 10 hours. CC-115 is evaluated using both once (qd) and twice (bid) daily dosing schedules . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:DNA-PK 13 nM (IC 50 ) mTOR 21 nM (IC 50 ) mTORC1 mTORC2 PI3Kα 852 nM (IC 50 )

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

CC-115 hydrochloride is a potent and dual DNA-PK and mTOR kinase inhibitor with IC 50 s of 13 nM and 21 nM, respectively. CC-115 blocks both mTORC1 and mTORC2 signaling.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Isomeric SMILES: CCN1C(=O)CNC2=NC=C(N=C21)C3=C(N=C(C=C3)C4=NC=NN4)C.Cl
• PubChem CID: 67153895
• Molecular Weight: 372.81

Chemical and Physical Properties

• Solubility: H2O : 50 mg/mL (134.12 mM; Need ultrasonic) DMSO : ≥ 30 mg/mL (80.47 mM)
• Molecular Weight: 372.800 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 372.121 Da
• Monoisotopic Mass: 372.121 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 491.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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