| Identification | Back Directory | [Name]
BAY-1895344 | [CAS]
1876467-74-1 | [Synonyms]
CPD1213
Elimusertib
BAY-1895344
Elimusertib free base
BAY-1895344 HCl(Elimusertib)
BAY1895344;BAY 1895344;CPD1213
BAY1895344;BAY 1895344;BAY-1895344
(R)-3-methyl-4-(4-(1-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-3-yl)-1,7-naphthyridin-2-yl)morpholine
(R)-3-methyl-4-(4-(1-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl)morpholine
1,7-Naphthyridine, 2-[(3R)-3-methyl-4-morpholinyl]-4-(1-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-3-yl)- | [Molecular Formula]
C20H21N7O | [MDL Number]
MFCD31561442 | [MOL File]
1876467-74-1.mol | [Molecular Weight]
375.43 |
| Chemical Properties | Back Directory | [Melting point ]
>200°C (dec.) | [Boiling point ]
661.1±55.0 °C(Predicted) | [density ]
1.43±0.1 g/cm3(Predicted) | [storage temp. ]
Hygroscopic, -20°C Freezer, Under inert atmosphere | [solubility ]
Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
11.09±0.10(Predicted) | [color ]
Orange | [InChI]
InChI=1S/C20H21N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-23-26(17)2)14-3-6-21-20(19(14)24-18)16-4-7-22-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)/t13-/m1/s1 | [InChIKey]
YBXRSCXGRPSTMW-CYBMUJFWSA-N | [SMILES]
N1C2C(=CC=NC=2C2C=CNN=2)C(C2N(C)N=CC=2)=CC=1N1CCOC[C@H]1C |
| Hazard Information | Back Directory | [Uses]
BAY-1895344 is a selective ATR (ataxia-telangiectasia and Rad3 related protein) inhibitor used in the treatment of advanced hyperproliferative disease, prophylaxis, solid tumors and lymphomas. | [in vivo]
Elimusertib shows potent anti-tumor efficacy in monotherapy in a variety of xenograft models of ovarian and colorectal cancer, and causes complete tumor remission in mantle cell lymphoma models[2].
Elimusertib (50 mg/kg; p.o.; b.i.d.; 3 days on/4 days off; for 11 days) exhibits strong antitumor efficacy in the ATM-mutated SU-DHL-8 (ATM K1964E) human GCB-DLBCL cell line derived xenograft model in mice[3].
Elimusertib (20 mg/kg, and 10 mg/kg from day 14; p.o.; daily; 2 days on/5 days off; for 42 days) in combination with Carboplatin (40 mg/kg; i.p.; daily; 1 day on/6 days off) results in synergistic antitumor activity in the platinum-resistant ATM protein low expressing CR5038 human CRC PDX model in NOD/SCID mice[3].
Elimusertib exhibits moderate oral bioavailability (rat 87%, dog 51%) following oral administration (rat and dog 0.6-1 mg/kg)[3].
Elimusertib exhibits terminal elimination half-lives (mouse 0.17 h, rat 1.3 and, dog 1.0 h) due to plasma clearance (3.5, 1.2, and 0.79 L/h/kg respectively) following intravenous administration (mouse, rat and dog 0.3-0.5 mg/kg)[3].
| Animal Model: | Female C.B-17 SCID mice, SU-DHL-8 GCB-DLBCL xenograft model[3] | | Dosage: | 50 mg/kg | | Administration: | Oral administration, b.i.d., 3 days on/4 days off, for 11 days | | Result: | Inhibited tumor area. |
| Animal Model: | Male Wistar rats[3] | | Dosage: | 0.3-0.5 mg/kg for i.v.; 0.6-1 mg/kg for oral (Pharmacokinetic Analysis) | | Administration: | Intravenous injection and oral administration | | Result: | Oral bioavailability (87%), T1/2 (1.3 h). |
| Animal Model: | Female beagle dogs[3] | | Dosage: | 0.3-0.5 mg/kg for i.v.; 0.6-1 mg/kg for oral (Pharmacokinetic Analysis) | | Administration: | Intravenous injection and oral administration | | Result: | Oral bioavailability (51%), T1/2 (1.0 h). |
| [IC 50]
ATR: 7 nM (IC50) | [storage]
Store at -20°C |
|
|