기본 정보
- CAS
1421866-48-9- 표준 SMILES
C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O- InChIKey
DVBUEXCIEIAXPM-PJUQSVSOSA-N- 분자식
- C25H37N5O6
- 평균 분자량
- 503.6 g/mol
- 단동위원소 질량
- 503.27438392
개요
NRX-1074 has been used in trials studying the treatment of Schizophrenia.
이름 및 식별자
- 우선 이름
- Apimostinel
- IUPAC
- (2R)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-benzylpyrrolidine-2-carboxamide
- 영어명
- Apimostinel
- 분자식
- C25H37N5O6
- 분자량
- 503.59
이름 및 동의어
ApimostinelNRX-1074Apimostinel [USAN]UNII-TTT1F11FZBApimostinel (USAN)NRX1074APIMOSTINEL [INN]Threonyl-prolyl-2R-(2-benzyl)-prolyl-threonine amideAPIMOSTINEL [WHO-DD]L-Threoninamide, L-threonyl-L-prolyl-2-(phenylmethyl)-L-prolyl-L-THREONYL-L-PROLYL-2-BENZYL-L-PROLYL-L-THREONINAMIDE N-METHYL-D-ASPARTATEapimostinelum
이름 더 보기
AGN-241660(R)-1-(L-threonyl-L-prolyl)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-2-benzylpyrrolidine-2-carboxamide(2S,3S)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-1-((S)-1-((2S,3R)-2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl)-3-benzylpyrrolidine-2-carbox(2S,3S)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-1-((S)-1-((2S,3R)-2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl)-3-benzylpyrrolidine-2-carboxamide
(2S,3R)-2-(((2R)-1-((2S)-1-((2S,3R)-2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl)-2-benzylpyrrolidin-2-yl)formamido)-3-hydroxybutanamide(2S,3R)-2-{[(2R)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-2-benzylpyrrolidin-2-yl]formamido}-3-hydroxybutanamideRefChem:1134111421866-48-9TTT1F11FZB(2R)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-benzylpyrrolidine-2-carboxamideorb1707647CHEMBL3989872
물성
구조 계산 물성
- XLogP
- -1
- 극성 표면적
- 179 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 834
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 878.7 · 878.7±65.0 °C(Predicted)
- 밀도
- 1.33 · 1.330±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 155 mg/mL · DMSO: 155 mg/mL (307.79 mM)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 12.26 · 12.26±0.45(Predicted)
- 색상
- White to off-white
화학 및 산업
공급사21 곳
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Aladdin Scientific[email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [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]
开封明仁药业有限公司0371-65741762 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海珀法姆医药科技有限公司+86 18721201413 · [email protected]
南京法恩化学有限公司025-85710122 17714198479 · [email protected]
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