(S)-tert-butyl 2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate

HCID 20777964

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 160800-65-7
표준 SMILES: CO[C@H]([C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIKey: XJDVGABQIFOWFC-SCQOQHIRSA-N
분자식: C23H36N2O5
평균 분자량: 420.5 g/mol

이름 및 식별자

우선 이름: (S)-tert-butyl 2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
IUPAC: tert-butyl (2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate
영어명: (S)-tert-butyl 2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
분자식: C23H36N2O5
분자량: 420.54

이름 및 동의어

Boc-Dap-NE160800-65-7(S)-tert-butyl 2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-, 1,1-dimethylethyl ester, (2S)-Boc-Dap-NE (GMP)ASQ83R8UEAtert-butyl (2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylateCS-148051,1-Dimethylethyl (2S)-2-((1R,2R)-3-(((1R,2S)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-methoxy-2-methyl-3-oxopropyl)-1-pyrrolidinecarboxylate1-Pyrrolidinecarboxylic acid, 2-((1R,2R)-3-(((1R,2S)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-methoxy-2-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester, (2S)-C23H36N2O5tert-butyl (2S)-2-[(1R,2R)-3-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate

이름 더 보기

tert-butyl (S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylateN-Boc-Dap-NEBOC-Dap-NE, 10 mM in DMSOAntibody-drug conjugates linkers,inhibit,ADC Linkers,BOC Dap NE,Inhibitor,BOCDapNE(2R,3R)-3-[(S)-1-Boc-2-pyrrolidinyl]-N-[(1S,2R)-1-hydroxy-1-phenyl-2-propyl]-3-methoxy-2-methylpropanamidetert-butyl (2S)-2-[(1R,2R)-2-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]carbamoyl}-1-methoxy-2-methylethyl]pyrrolidine-1-carboxylate

MFCD31694246UNII-ASQ83R8UEAorb1219277orb1306033SCHEMBL4820979WLZ3755XJDVGABQIFOWFC-SCQOQHIRSA-NCS-M2968

데이터베이스 식별자

CAS: 160800-65-7
PubChem CID: 20777964
UNII: ASQ83R8UEA

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 88.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 9
무거운 원자 수: 30
형식 전하: 0
복잡도: 570

물리화학적 성질

녹는점: 55 · 55-57 °C
끓는 점: 589.1 · 589.1±50.0 °C(Predicted)
밀도: 1.125 · 1.125±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
용해도: 100 mg/mL · DMSO: 100 mg/mL (237.79 mM)
산도 계수 (pKa): 13.66 · 13.66±0.20(Predicted)
물리적 상태: Solid
색상: White to off-white
수용성: 0.1 mg/mL · Water: < 0.1 mg/mL (insoluble)
InChIKey: XJDVGABQIFOWFC-SCQOQHIRSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC[C@H]1[C@H](OC)[C@@H](C)C(N[C@H](C)[C@@H](O)C1=CC=CC=C1)=O

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

공급사81 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

Shanghai Huici Pharmaceutical Technology Co., LTD+8615601812108 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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