기본 정보
- CAS
477600-76-3- 표준 SMILES
CC(=O)N1CC[C@@H](C)[C@@H](N(C)c2ncnc3[nH]ccc23)C1- InChIKey
FJIVGKFVGCGMFC-MFKMUULPSA-N- 분자식
- C15H21N5O
- 평균 분자량
- 287.36 g/mol
- 단동위원소 질량
- 287.17461031
이름 및 식별자
- 우선 이름
- 1-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)ethanone
- IUPAC
- 1-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone
- 영어명
- 3-PiperidinaMine, 1-acetyl-N,4-diMethyl-N-1H-pyrrolo[2,3-d]pyriMidin-4-yl-, (3R,4R)- (9CI)
- 분자식
- C15H21N5O
- 분자량
- 287.36
이름 및 동의어
477600-76-31-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)ethanoneTofacitinib Impurity RMFCD269610091-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone3-PiperidinaMine, 1-acetyl-N,4-diMethyl-N-1H-pyrrolo[2,3-d]pyriMidin-4-yl-, (3R,4R)- (9CI)1-[(3R,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]ethanoneC15H21N5O1-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)ethan-1-one;1-[(3R,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]ethanone2749329-61-9orb3181241SCHEMBL4866110
이름 더 보기
Tofatinib Impurity LTofacitib impurity ZTofacitinib Impurity ZTOFACITINIB N-ACETYL IMPURITYTofacitinib Citrate impurity ZEthanone, 1-[(3R,4R)-4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-1-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)ethan-1-one
FJIVGKFVGCGMFC-MFKMUULPSA-NCS-M2283AKOS037650356CS-14690rel-1-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)ethan-1-oneSY269298C12659F789616
데이터베이스 식별자
- CAS
477600-76-3- PubChem CID
- 69222083
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 65.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 390
물리화학적 성질
- 녹는점
- 116 · 116 - 122°C
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 하얀색
화학 및 산업
응용 분야
용도Tofacitinib Impurity Z is an impurity of Tofacitinib (T528000), an enantiopure stereoisomer of the drug, Janus kinase 3 (Jak3) inhibitor (CP-690,550) that has been found to inhibit selected members of the STE7 and STE20 subfamily of kinases.
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