기본 정보
- CAS
1223405-08-0- 표준 SMILES
O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1.O=S(=O)(O)O- InChIKey
PXHANKVTFWSDSG-QLOBERJESA-N- 분자식
- C21H24F2N6O6S
- 평균 분자량
- 526.5 g/mol
- 단동위원소 질량
- 526.14460993
개요
Larotrectinib Sulfate is the sulfate salt form of larotrectinib, an orally available, tropomyosin receptor kinase (Trk) inhibitor, with potential antineoplastic activity. Upon administration, larotrectinib binds to Trk, thereby preventing neurotrophin-Trk interaction and Trk activation, which results in both the induction of cellular apoptosis and the inhibition of cell growth in tumors that overexpress Trk. Trk, a receptor tyrosine kinase activated by neurotrophins, is mutated in a variety of cancer cell types and plays an important role in tumor cell growth and survival.
이름 및 식별자
- 우선 이름
- Larotrectinib Sulfate
- IUPAC
- (3S)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide;sulfuric acid
- 현지명
- LOXO-101(황산염)
- 영어명
- Larotrectinib Sulfate
- 분자식
- C21H24F2N6O6S
- 분자량
- 526.52
이름 및 동의어
Larotrectinib sulfate1223405-08-0LOXO-101 sulfateARRY-470 sulfateRDF76R62IDUNII-RDF76R62ID1-Pyrrolidinecarboxamide, N-[5-[(2R)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxy-, (3S)-, sulfate (1:1)1-Pyrrolidinecarboxamide, N-(5-((2R)-2-(2,5-difluorophenyl)-1-pyrrolidinyl)pyrazolo(1,5-a)pyrimidin-3-yl)-3-hydroxy-, (3S)-, sulfate (1:1)(3S)-N-(5-((2R)-2-(2,5-DIFLUOROPHENYL)PYRROLIDIN-1-YL)PYRAZOLO(1,5-A)PYRIMIDIN-3-YL)-3-HYDROXYPYRROLIDINE-1-CARBOXAMIDE SULFATE (1:1)(3S)-N-{5-[(2R)-2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl}-3-hydroxypyrrolidine-1-carboxamide sulfate (1:1)LOXO 101 sulfateARRY 470 Sulfate
이름 더 보기
LOXO-101(황산염)(3S)-N-[5-[(2R)-2-(2,5-Difluorophenyl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxy-1-pyrrolidinecarboxamide sulfate (1:1)LOX-101Loxo-101（S）LOX-101(sulfate)ARRY 470) sulfateLarotinib sulfate
물성
구조 계산 물성
- 극성 표면적
- 169 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 741
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 18.47 mg/mL · ≥18.47 mg/mL in DMSO; ≥2.14 mg/mL in EtOH; ≥29.65 mg/mL in H2O
- 물리적 상태
- 고체
- 색상
- Light yellow to brown
- 안정성
- 흡습성
- InChIKey
- PXHANKVTFWSDSG-RZOMTXEQNA-N
- SMILES
- S(O)(O)(=O)=O.FC1C=CC(F)=CC=1[C@H]1CCCN1C1C=CN2N=CC(NC(N3C[C@@H](O)CC3)=O)=C2N=1 |&1:13,29,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P301+P317, P319, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Larotrectinib sulfate
Ambiguous-DILI-concern
3
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
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
응용 분야
개요LOXO-101 (sulfate) (or Larotrectinib Sulfate) is an oral potent and selective ATP-competitive inhibitor of tropomyosin receptor kinases (TRK).
용도Larotrectinib Sulfate is a potent and selective oral ATP-competitive inhibitor of tropomyosin receptor kinases (TRK).
상·하류 제품 정보
상류 원료
공급사100 곳
관련 반응
4건
화합물 노트
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