데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
177707-12-9- 표준 SMILES
O=C(N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccc(Cl)cc2)C1)c1ccnc2ccccc12- InChIKey
NXLUTEDAEFXMQR-BJKOFHAPSA-N- 분자식
- C31H24ClF6N3O2
- 평균 분자량
- 620 g/mol
- 단동위원소 질량
- 619.1461237
이름 및 식별자
- 우선 이름
- AV-608
- IUPAC
- N-[(2R,4S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]quinoline-4-carboxamide
- 영어명
- (2R,4S)-N-[1-[3,5-Bis(trifluoromethyl)benzoyl]-2-(4-chlorobenzyl)piperidin-4-yl]quinoline-4-carboxamide
- 분자식
- C31H24ClF6N3O2
- 분자량
- 619.98
이름 및 동의어
177707-12-9NKP-608AV-608nk 608CGP-608NKP 608987K1SBI71CGP 60829CGP-608294-Quinolinecarboxamide, N-(1-(3,5-bis(trifluoromethyl)benzoyl)-2-((4-chlorophenyl)methyl)-4-piperidinyl)-, (2R-trans)-RefChem:916529NKP608
이름 더 보기
NK-608NK-608NKP-608,NKP608(2R,4S)-N-[1-[3,5-Bis(trifluoromethyl)benzoyl]-2-(4-chlorobenzyl)piperidin-4-yl]quinoline-4-carboxamideN-((2R,4S)-1-(3,5-bis(trifluoromethyl)benzoyl)-2-(4-chlorobenzyl)piperidin-4-yl)quinoline-4-carboxamideN-[(2R,4S)-1-[3,5-Bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]-4-piperidinyl]-4-quinolinecarboxamideNKP-608((2R,4S)-N-[1-[3,5-Bis(trifluoromethyl)benzoyl]-2-(4-chlorobenzyl)piperidin-4-yl]quinoline-4-carboxamide)
N-[(2R,4S)-1-[3,5-BIS(TRIFLUOROMETHYL)BENZOYL]-2-[(4-CHLOROPHENYL)METHYL]PIPERIDIN-4-YL]QUINOLINE-4-CARBOXAMIDE4-Quinolinecarboxamide, N-[(2R,4S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]-4-piperidinyl]-N-{(2R,4S)-1-[3,5-Bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl}quinoline-4-carboxamideSCHEMBL155207UNII-987K1SBI71orb1679056CHEMBL1765508DTXSID30432754
물성
구조 계산 물성보충 중
- XLogP
- 7.6
- 극성 표면적
- 62.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 950
물리화학적 성질
- 끓는 점
- 719.2 · 719.2±60.0 °C(Predicted)
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 100 mg/mL · DMSO : 100 mg/mL (161.30 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 12.92 · 12.92±0.40(Predicted)
- 색상
- Light yellow to yellow
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationCompounds that inhibit or block the activity of NEUROKININ-1 RECEPTORS.
공급사25 곳
广州诚创生物科技有限公司18027266590 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
杭州东帆化学有限公司86-0571-85151182
北京汤普森生物科技有限公司+86-13439059536 +86-15201677815 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
관련 반응
1건
화합물 노트
불러오는 중…