CAL-101 CAS 870281-82-6
Introduction：Basic information about CAL-101 CAS 870281-82-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
CAL-101 Basic information
| Product Name: | CAL-101 |
| Synonyms: | CAL101,CAL-101;CAL-101;GS1101;CAL-101 (GS-1101);5-Fluoro-3-phenyl-2-[(1S)-1-(9H-purin-6-ylamino)propyl]-4(3H)-quinazolinone;CAL-101 (Idelalisib, GS-1101);(S)-2-(1-((9H-Purin-6-yl)aMino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one;Idelalisib(CAL-101) |
| CAS: | 870281-82-6 |
| MF: | C22H18FN7O |
| MW: | 415.42 |
| EINECS: | 807-438-9 |
| Product Categories: | Akt;mTOR;PI3K;API;API;Inhibitors;Inhibitor |
| Mol File: | 870281-82-6.mol |
CAL-101 Chemical Properties
| Melting point | 250-252oC |
| Boiling point | 733.4±70.0 °C(Predicted) |
| density | 1.47 |
| storage temp. | -20°C |
| solubility | Soluble in DMSO (>25 mg/ml) |
| pka | 10.00±0.10(Predicted) |
| form | White solid. |
| color | White |
| Stability: | Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 2 months. |
| InChIKey | IFSDAJWBUCMOAH-HNNXBMFYSA-N |
| SMILES | N1C2=C(C(F)=CC=C2)C(=O)N(C2=CC=CC=C2)C=1[C@@H](NC1=C2C(=NC=N1)NC=N2)CC |
Safety Information
| Safety Statements | V |
| HS Code | 29399990 |
| Hazardous Substances Data | 870281-82-6(Hazardous Substances Data) |
| Description | Idelalisib (CAS 870281-82-6) is a potent (IC50 = 2.5nM) and selective (IC50’s: PI3Ka = 820nM, PI3Kb = 565nM, PI3Kg = 89nM) PI3Kd inhibitor.1,2 Useful clinical agent for the treatment of various blood cancers. Idelalisib attenuates regulatory T cells (Treg) but not conventional T cells (Tconv) resulting in a significant increase in tumor-infiltrating antigen-specific CD8 T cells in a murine lung cancer model.3 Conversely, systemic PI3Kd inactivation antagonized anti-CTLA-4 and anti-PD-L1 treatment.4 Others have found that Idelalisib minimally influenced rituximab- and obinutuzumab-mediated Ab-dependent cellular cytotoxicity in human lymphoma cells.5 |
| Uses | CAL-101 is a PI3K/mTOR pathway inhibitor used in the treatment of myeloid leukemia through sensitizing the cells to combatting drugs. Potent PI3K-p110-delta inhibitor. |
| Definition | ChEBI: A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolnt non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia. |
| in vitro | CAL-101 (Idelalisib) is a highly selective and potent p110δ inhibitor (EC50=8 nM). Greater selectivity (400- to 4000-fold) is seen against related kinases C2β, hVPS34, DNA-PK, and mTOR, whereas no activity is observed against a panel of 402 diverse kinases at 10 μM. CAL-101 reduces PDGF-induced pAkt by only 25% at 10 μM. Idelalisib (CAL-101) inhibits LPA-induced pAkt with an EC50 of 1.9 μM. Idelalisib (CAL-101) blocks Fc?RI p110δ-mediated CD63 expression with an EC50 of 8 nM, whereas formyl-methionyl-leucyl-phenylalanine activation of p110γ is inhibited with an EC50 of 3 μM. Thus, CAL-101 has 240- to 2500-fold selectivity in cell-based assays for p110δ over the other class I PI3K isoforms. CAL-101Idelalisib (CAL-101)-induced apoptosis of chronic lymphocytic leukemia (CLL) cells is significant compared with vehicle treatment alone (P<0.001). Idelalisib (CAL-101) induces selective cytotoxicity in CLL cells independent of IgVH mutational status or interphase cytogenetics. |
| in vivo | A significant reduction is observed in the CD11b+Ly6G+ neutrophils from brain homogenates of bothp110δD910A/D910A mice and Idelalisib (CAL-101) (40 mg/kg, i.v.) post-treated mice. |
| target | p110δ |
| storage | Store at -20°C |
| References | [1] SARAH E M HERMAN. Phosphatidylinositol 3-kinase-δ inhibitor CAL-101 shows promising preclinical activity in chronic lymphocytic leukemia by antagonizing intrinsic and extrinsic cellular survival signals.[J]. Blood, 2010: 2078-2088. DOI:10.1182/blood-2010-02-271171 [2] BRIAN J LANNUTTI. CAL-101, a p110delta selective phosphatidylinositol-3-kinase inhibitor for the treatment of B-cell malignancies, inhibits PI3K signaling and cellular viability.[J]. Blood, 2011: 591-594. DOI:10.1182/blood-2010-03-275305 [3] SHAMIM AHMAD. Differential PI3Kδ Signaling in CD4+ T-cell Subsets Enables Selective Targeting of T Regulatory Cells to Enhance Cancer Immunotherapy.[J]. Cancer research, 2017, 77 8 1: 1892-1904. DOI:10.1158/0008-5472.can-16-1839 [4] EE LYN LIM. Phosphoinositide 3-kinase δ inhibition promotes antitumor responses but antagonizes checkpoint inhibitors.[J]. ACS Applied Nano Materials, 2018. DOI:10.1172/jci.insight.120626 [5] ADAM PALAZZO. The PI3Kδ-Selective Inhibitor Idelalisib Minimally Interferes with Immune Effector Function Mediated by Rituximab or Obinutuzumab and Significantly Augments B Cell Depletion In Vivo.[J]. ACS Applied Electronic Materials, 2018: 2304-2312. DOI:10.4049/jimmunol.1700323 |
CAL-101 Preparation Products And Raw materials
| Raw materials | (S)-2-(1-aMinopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one-->6-Chloropurine |
