Leniolisib Phosphate
기본 정보
- CAS
1354691-97-6- 표준 SMILES
CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1.O=P(O)(O)O- InChIKey
XXEDEGOAYSGNPS-ZOWNYOTGSA-N- 분자식
- C21H28F3N6O6P
- 평균 분자량
- 548.5 g/mol
- 단동위원소 질량
- 548.17600412
개요
Leniolisib phosphate is a phosphate salt obtained by reaction leniolisib with one equivalent of phosphoric acid. It is used to treat activated phosphoinositide 3-kinase delta (PI3Kdelta) syndrome in adults and children 12 years of age and older. It has a role as an EC 2.7.1.153 (phosphatidylinositol-4,5-bisphosphate 3-kinase) inhibitor and an immunomodulator. It contains a leniolisib.
이름 및 식별자
- 우선 이름
- Leniolisib Phosphate
- IUPAC
- 1-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one;phosphoric acid
- 영어명
- Leniolisib phosphate
- 분자식
- C21H28F3N6O6P
- 분자량
- 548.46
이름 및 동의어
Leniolisib phosphate1354691-97-6Leniolisib monophosphateJOENJACDZ173-AZ3700M1H39QCDZ-173-AZCDZ-1731-Propanone, 1-((3S)-3-((5,6,7,8-tetrahydro-6-(6-methoxy-5-(trifluoromethyl)-3-pyridinyl)pyrido(4,3-d)pyrimidin-4-yl)amino)-1-pyrrolidinyl)-, phosphate (1:1)RefChem:57739Cdz173Leniolisib (phosphate)
이름 더 보기
UNII-3700M1H39Q(S)-1-(3-((6-(6-methoxy-5-(trifluoromethyl)pyridin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino)pyrrolidin-1-yl)propan-1-one phosphate1-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one;phosphoric acidJoenja (TN)Leniolisib phosphate [WHO-DD]orb1689906CHEMBL3989909SCHEMBL15789519
데이터베이스 식별자
- CAS
1354691-97-6- PubChem CID
- 90214495
- ChEMBL
CHEMBL3989909- ChEBI
CHEBI:229650- UNII
- 3700M1H39Q
물성
구조 계산 물성
- 극성 표면적
- 161 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 703
실험 및 물리화학적 성질
Human Drugs
Breast Feeding; Lactation; Milk, Human; Enzyme Inhibitors; Protein Kinase Inhibitors; Signal Transduction Inhibitors
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine (Orphan designations)
FDA approved drugs -> Active ingredient
물리화학적 성질
- 물리적 상태
- Solid
- 색상
- White to off-white
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationAgents that inhibit PHOSPHOINOSITIDE-3 KINASE activity.
관련 반응
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