Jnj-17203212
기본 정보
- CAS
821768-06-3- 표준 SMILES
O=C(Nc1ccc(C(F)(F)F)cn1)N1CCN(c2ncccc2C(F)(F)F)CC1- InChIKey
JFRYYGVYCWYIDQ-UHFFFAOYSA-N- 분자식
- C17H15F6N5O
- 평균 분자량
- 419.32 g/mol
- 단동위원소 질량
- 419.11807909
이름 및 식별자
- 우선 이름
- Jnj-17203212
- IUPAC
- 4-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
- 영어명
- 4-[3-(Trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide
- 분자식
- C17H15F6N5O
- 분자량
- 419.32
이름 및 동의어
821768-06-3JNJ-17203212JNJ 172032124-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxamide1-Piperazinecarboxamide, 4-(3-(trifluoromethyl)-2-pyridinyl)-N-(5-(trifluoromethyl)-2-pyridinyl)-4-[3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamideJNJ1720321271JE0C439XDTXSID504628564-(3-Trifluoromethyl)pyridin-2-yl)piperazine-1-carboxylic acid (5-(trifluoromethyl)pyridin-2-yl)amide1-Piperazinecarboxamide, 4-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-RefChem:150523
이름 더 보기
JNJ-17203212 (JNJ17203212JNJ-17203212, 10 mM in DMSON1-(3-Trifluoromethylpyrid-2-yl)-N4-(4-trifluoromethylpyrid-2-yl)carbamoylpiperazinemanagement,inhibit,pain,migrainem,Transient receptor potential channels,TRP Channel,JNJ-17203212,JNJ17203212,Inhibitor,JNJ 17203212
DTXCID404136754-[3-(TRIFLUOROMETHYL)-PYRIDIN-2-YL]-N-[5-(TRIFLUOROMETH YL)-PYRIDIN-2-YL]-1-PIPERAZINECARBOXAMIDEMFCD12828764CHEMBL2547784-[3-(Trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide4-(3-trifluoromethyl-pyridin-2-yl)-piperazine-1-carboxylic acid (5-trifluoromethyl-pyridin-2-yl)-amideUNII-71JE0C439XC17H15F6N5O
데이터베이스 식별자
- CAS
821768-06-3- PubChem CID
- 11339118
- DTXSID
DTXSID50462856- ChEMBL
CHEMBL254778- UNII
- 71JE0C439X
- EC Number
- 685-050-7
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 61.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 563
물리화학적 성질
- 끓는 점
- 551.315 · 551.315±50.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.472 · 1.472±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 20 mg/mL · DMSO: >20mg/mL
- 산도 계수 (pKa)
- 9.323 · 9.323±0.46(predicted)
- 물리적 상태
- 가루
- 색상
- 흰색에서 황백색까지
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- ridadr
- UN 2811 6.1 / PGIII
- HS 번호
- 2933998090
- risk_code
- 22-36
- hazard_code
- Xn,Xi
- safety_code
- 26
화학 및 산업
응용 분야
용도JNJ 17203212 is a high affinity TRPV1 receptor antagonist.
관련 반응
0건
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