기본 정보
- CAS
2225148-49-0- 표준 SMILES
O=C(O)CCOCCOCCOCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O- InChIKey
NBDBXIANAMQQQU-UHFFFAOYSA-N- 분자식
- C28H39N3O12
- 평균 분자량
- 609.6 g/mol
- 단동위원소 질량
- 609.25337369
이름 및 식별자
- 우선 이름
- Pomalidomide-PEG6-COOH
- IUPAC
- 3-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
- 영어명
- Propanoic acid, 3-[[17-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]-3,6,9,12,15-pentaoxaheptadec-1-yl]oxy]-
- 분자식
- C28H39N3O12
- 분자량
- 609.62
이름 및 동의어
2225148-49-0Pomalidomide-PEG6-COOHPomalidomide-PEG6-C2-COOH1-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-3,6,9,12,15,18-hexaoxahenicosan-21-oic acidMFCD321737911-[[2-(2,6-Dioxo-3-piperidyl)-1,3-dioxo-4-isoindolinyl]amino]-3,6,9,12,15,18-hexaoxahenicosan-21-oic Acid3-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxo-3-piperidyl)-1,3-dioxo-isoindolin-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acidPomalidomide-PEG6-CO2HSCHEMBL22828168Pomalidomide-PEG6-AcidPomalidomide-PEG?-CO?HPomalidomide-PEG6-C2-acid
이름 더 보기
Poma-PEG6-COOHThalidomide-NH-PEG6-C2-COOH1-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}-3,6,9,12,15,18-hexaoxahenicosan-21-oic acid3-[[17-[[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]-3,6,9,12,15-pentaoxaheptadec-1-yl]oxy]propanoic acid
orb3135786SCHEMBL30121864C28H39N3O123-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acidAC-37732BP-44895SY309956E85771
물성
구조 계산 물성
- XLogP
- -0.5
- 극성 표면적
- 188 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 919
물리화학적 성질
- 끓는 점
- 809.5 · 809.5±65.0 °C(Predicted)
- 밀도
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- liquid
- 산도 계수 (pKa)
- 4.28 · 4.28±0.10(Predicted)
- InChIKey
- NBDBXIANAMQQQU-UHFFFAOYSA-N
- SMILES
- O=C(NC1=O)CCC1N(C2=O)C(C3=C2C=CC=C3NCCOCCOCCOCCOCCOCCOCCC(O)=O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도Protein degrader builiding block Pomalidomide-PEG6-CO2H enables the synthesis of molecules for targeted protein degradation and PROTAC (proteolysis-targeting chimeras) technology. This conjugate contains a Cereblon (CRBN)-recruiting ligand and a PEGylated crosslinker with pendant carboxylic acid for reactivity with an amine on the target ligand. Because even slight alterations in ligands and crosslinkers can affect ternary complex formation between the target, E3 ligase, and PROTAC, many analogs are prepared to screen for optimal target degradation. When used with other protein degrader building blocks with a pendant carboxyl group, parallel synthesis can be used to more quickly generate PROTAC libraries that feature variation in crosslinker length, composition, and E3 ligase ligand.
공급사23 곳
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州洛琅生物技术有限公司15306536782 · [email protected]
扬州济德康瑞生物科技有限公司15029750239 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Xian confluore Biological Technology Co., Ltd.+86-15680926068 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
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