기본 정보
- CAS
1254977-87-1- 표준 SMILES
FC(F)(F)c1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12- InChIKey
BQAVZGJJQFJSMW-UHFFFAOYSA-N- 분자식
- C22H23F3N4
- 평균 분자량
- 400.4 g/mol
- 단동위원소 질량
- 400.18748124
이름 및 식별자
- 우선 이름
- Jnj-42153605
- IUPAC
- 3-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
- 영어명
- 3-(cyclopropylMethyl)-7-(4-phenylpiperidin-1-yl)-8-(trifluoroMethyl)-[1,2,4]triazolo[4,3-a]pyridine
- 분자식
- C22H23F3N4
- 분자량
- 400.44
이름 및 동의어
JNJ-421536051-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-phenylpiperidine1-(3-(cyclopropylmethyl)-8-(trifluoromethyl)-(1,2,4)triazolo(4,3-a)pyridin-7-yl)-4-phenylpiperidineRefChem:1505441254977-87-13-(cyclopropylmethyl)-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridineJNJ 42153605CHEMBL2179319BQAVZGJJQFJSMW-UHFFFAOYSA-NSCHEMBL748143GTPL6317orb1223365
이름 더 보기
CS-2446JNJ-42153605 ，S6618JNJ42153605 (on going)JNJ42153605Inhibitor,JNJ42153605,Metabotropic glutamate receptors,JNJ-42153605,inhibit,JNJ 42153605,mGluR3-(Cyclopropylmethyl)-7-(4-phenyl-1-piperidinyl)-8-(trifluorometh yl)[1,2,4]triazolo[4,3-a]pyridine1,2,4-Triazolo[4,3-a]pyridine, 3-(cyclopropylmethyl)-7-(4-phenyl-1-piperidinyl)-8-(trifluoromethyl)-
orb1304191C22H23F3N4DTXSID601381108GLXC-10210HMS3753A15EAC97787EX-A1446BDBM50399088
데이터베이스 식별자
- CAS
1254977-87-1- PubChem CID
- 49765871
- DTXSID
DTXSID601381108- ChEMBL
CHEMBL2179319- Nikkaji
- J3.369.267F
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 33.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 553
물리화학적 성질
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 30 · DMF:30.0(Max Conc. mg/mL);74.92(Max Conc. mM)DMF:PBS (pH 7.2) (1:3):0.25(Max Conc. mg/mL);0.62(Max Conc. mM)DMSO:10.34(Max Conc. mg/mL);25.81(Max Conc. mM)Ethanol:10.0(Max Conc. mg/mL);24.97(Max Conc. mM)
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 3.07 · 3.07±0.30(Predicted)
- 색상
- White to off-white
화학 및 산업
응용 분야
개요JNJ-42153605 is a positive allosteric modulator of metabotropic glutamate receptor 2 (mGluR2; EC50 = 17 nM in CHO cells expressing the human receptor). In vivo, JNJ-42153605 (3 mg/kg) inhibits mGluR2-mediated rapid eye movement (REM) sleep in rats. It also reverses phencyclidine-induced hyperlocomotion in mice (ED50 = 5.4 mg/kg).
공급사40 곳
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