기본 정보
- CAS
186185-03-5- 표준 SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(OC)c3)CC2)c1- InChIKey
WMYSXJSJXZFODY-UHFFFAOYSA-N- 분자식
- C33H42N4O6
- 평균 분자량
- 590.7 g/mol
- 단동위원소 질량
- 590.31043507
개요
a neuropeptide YY1 receptor antagonist; structure in first source
이름 및 식별자
- 우선 이름
- Bms-193885
- IUPAC
- dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- 영어명
- 1,4-Dihydro-4-[3-[[[[3-[4-(3-methoxyphenyl)-1-piperidinyl]propyl]amino]carbonyl]amino]phenyl]-2,6-dimethyl-3,5-pyridinedicarboxylicacid3,5-dimethylesterL-Lactate
- 분자식
- C33H42N4O6
- 분자량
- 590.71
이름 및 동의어
BMS-193885186185-03-5BMS 1938853,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-((((3-(4-(3-methoxyphenyl)-1-piperidinyl)propyl)amino)carbonyl)amino)phenyl)-2,6-dimethyl-, 3,5-dimethyl ester819SRG2Y6N3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-((((3-(4-(3-methoxyphenyl)-1-piperidinyl)propyl)amino)carbonyl)amino)phenyl)-2,6-dimethyl-, dimethyl esterDTXSID501018102RefChem:120705DTXCID301476338663-935-9BMS193885UNII-819SRG2Y6N
이름 더 보기
BMS193885,BMS 193885BMS-193885 >=98% (HPLC)BMS-193885, 10 mM in DMSO1,4-dihydro-4-[3-[[[[3-[4-(3-methoxyphenyl)-1-piperidinyl]propyl]amino]carbonyl]amino]phenyl]-2,6-dimethyl-3,5-dimethyl ester-3,5-pyridinedicarboxylic acid3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-[3-[[[[3-[4-(3-methoxyphenyl)-1-piperidinyl]propyl]amino]carbonyl]amino]phenyl]-2,6-dimethyl-, 3,5-dimethyl ester
CHEMBL2046866Dimethyl 4-(3-(3-(3-(4-(3-methoxyphenyl)piperidin-1-yl)propyl)ureido)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylatedimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate1,4-Dihydro-4-[3-[[[[3-[4-(3-methoxyphenyl)-1-piperidinyl]propyl]amino]carbonyl]amino]phenyl]-2,6-dimethyl-3,5-pyridinedicarboxylicacid3,5-dimethylesterL-Lactatedimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateorb1707539SCHEMBL29945732SCHEMBL41992669
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,010
물리화학적 성질
- 끓는 점
- 707.5 · 707.5±60.0 °C(Predicted)
- 밀도
- 1.188 · 1.188±0.06 g/cm3(Predicted)
- 저장 조건
- 4 °C · Desiccate at +4°C
- 용해도
- 10 mg/mL · DMSO: >10mg/mL
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 13.94 · 13.94±0.46(Predicted)
- 색상
- 밝은 노란색에서 노란색까지
- InChIKey
- WMYSXJSJXZFODY-UHFFFAOYSA-N
- SMILES
- COC(=O)C1=C(C)NC(C)=C(C1c2cccc(NC(=O)NCCCN3CCC(CC3)c4cccc(OC)c4)c2)C(=O)OC
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 22
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사22 곳
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
BOC Sciences[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…