기본 정보
- CAS
287206-61-5- 표준 SMILES
CCNC(=O)[C@H](Cc1ccc(O)c(C(C)(C)C)c1)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc1ccc(F)cc1)NC- InChIKey
KSDWAJPUTRBIRR-KLJDGLGGSA-N- 분자식
- C31H45FN4O4
- 평균 분자량
- 556.7 g/mol
- 단동위원소 질량
- 556.34248409
이름 및 식별자
- 우선 이름
- 4-Fluoro-N-methyl-L-phenylalanyl-N-methyl-L-valyl-3-(1,1-dimethylethyl)-N-ethyl-L-tyrosinamide
- IUPAC
- (2S)-N-[(2S)-3-(3-tert-butyl-4-hydroxyphenyl)-1-(ethylamino)-1-oxopropan-2-yl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methylamino]-3-methylbutanamide
- 영어명
- MA 2029
- 분자식
- C31H45FN4O4
- 분자량
- 556.71
이름 및 동의어
287206-61-54-Fluoro-N-methyl-L-phenylalanyl-N-methyl-L-valyl-3-(1,1-dimethylethyl)-N-ethyl-L-tyrosinamideMA 2029(2S)-N-[(2S)-3-(3-tert-butyl-4-hydroxyphenyl)-1-(ethylamino)-1-oxopropan-2-yl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methylamino]-3-methylbutanamideMA2029orb1707020C31H45FN4O4DTXSID901365769GLXC-04911MFCD28133382AKOS024458425NCGC00370761-01
이름 더 보기
MA 2029,MA2029L-Tyrosinamide, 4-fluoro-N-methyl-L-phenylalanyl-N-methyl-L-valyl-3-(1,1-dimethylethyl)-N-ethyl-
MS-30146HY-107642CS-0029045G14388T15946(2S)-N-[(1S)-1-[(3-tert-butyl-4-hydroxy-phenyl)methyl]-2-(ethylamino)-2-oxo-ethyl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methyl-amino]-3-methyl-butanamide
데이터베이스 식별자
- CAS
287206-61-5- PubChem CID
- 10144175
- DTXSID
DTXSID901365769- Nikkaji
- J2.842.338A
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 825
물리화학적 성질
- 끓는 점
- 765.1 · 765.1±60.0 °C(Predicted)
- 밀도
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 20 mM · Soluble to 20 mM in 1eq. HCl and to 100 mM in DMSO
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 11.24 · 11.24±0.20(Predicted)
- 색상
- White to off-white
화학 및 산업
응용 분야
용도MA 2029 is a novel, selective and competitive motilin receptor antagonist, which inhibits motilin-induced intestinal contractions in animals models. MA 2029 may be useful for gastrointestinal disorders associated with disturbed gastrointestinal motility such as IBS.
공급사7 곳
Aladdin Scientific[email protected]
United Life Science020-82099279 18988968278 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…