기본 정보
- CAS
2275774-60-0- 표준 SMILES
C[C@@H]1OC(=O)NN=C1c1ccc(-c2ccc(F)cc2)c(C(F)(F)F)c1- InChIKey
JNTJTCXFIXNXDV-VIFPVBQESA-N- 분자식
- C17H12F4N2O2
- 평균 분자량
- 352.28 g/mol
- 단동위원소 질량
- 352.08349028
개요
SLFN12-PDE3A Complex Inducer BAY 2666605 is an orally bioavailable agent that triggers the formation of a complex of the two proteins Schlafen family member 12 (SLFN12) and phosphodiesterase 3A (PDE3A), with potential antineoplastic activity. Upon oral administration, SLFN12-PDE3A complex inducer BAY2666605 triggers the formation of the SLFN12-PDE3A complex. This stabilizes SLFN12 and alters the expression of a set of genes that regulate cell survival, death, and proliferation. This suppresses cell cycle progression and induces apoptosis in cancer cells that specifically express elevated levels of both of these proteins.
이름 및 식별자
- 우선 이름
- Bay-2666605
- IUPAC
- (6S)-5-[4-(4-fluorophenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
- 영어명
- BAY 2666605
- 분자식
- C17H12F4N2O2
- 분자량
- 352.28
이름 및 동의어
BAY-2666605BAY26666052H-1,3,4-Oxadiazin-2-one, 5-(4'-fluoro-2-(trifluoromethyl)(1,1'-biphenyl)-4-yl)-3,6-dihydro-6-methyl-, (6S)-RefChem:199713Schlafen12 Complex Inducer BAY 2666605SLFN12-PDE3A Complex Inducer BAY 2666605SLFN12/PDE3A Complex Inducer BAY 2666605BAY 26666052275774-60-0XC4ZA6OSY6UNII-XC4ZA6OSY6(6S)-5-[4-(4-fluorophenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
이름 더 보기
BAY 266605BAY 2666605 ，E1205BAY 2666605, 10 mM in DMSO(S)-5-[4’-Fluoro-2-(trifluoromethyl)-4-biphenylyl]-6-methyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one2H-1,3,4-Oxadiazin-2-one, 5-[4'-fluoro-2-(trifluoromethyl)[1,1'-biphenyl]-4-yl]-3,6-dihydro-6-methyl-, (6S)-anticancer effect,inhibit,BAY 2666605,orally active,PDE3A-SLFN12 Complex,Phosphodiesterase (PDE),BAY2666605,BAY-2666605,Inhibitor
(S)-5-(4'-Fluoro-2-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-6-methyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-oneorb1297869CHEMBL5268644SCHEMBL20705325JNTJTCXFIXNXDV-VIFPVBQESA-NBDBM568674EX-A6040NSC841296
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 50.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 529
물리화학적 성질
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 9.07 · 9.07±0.60(Predicted)
- 색상
- White to off-white
- InChI
- InChI=1S/C17H12F4N2O2/c1-9-15(22-23-16(24)25-9)11-4-7-13(14(8-11)17(19,20)21)10-2-5-12(18)6-3-10/h2-9H,1H3,(H,23,24)/t9-/m0/s1
- InChIKey
- JNTJTCXFIXNXDV-VIFPVBQESA-N
- SMILES
- O1[C@@H](C)C(C2=CC=C(C3=CC=C(F)C=C3)C(C(F)(F)F)=C2)=NNC1=O
화학 및 산업
응용 분야
용도BAY 2666605 is an orally active PDE3A and PDE3B inhibitor with IC50s of 87 nM and 50 nM, respectively. BAY 2666605 is a PDE3A-SLFN12 complex inducer.
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