Telotristat Etiprate

HCID 25253377CAS 1137608-69-5

기본 정보

표준 SMILES: CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1.O=C(O)CNC(=O)c1ccccc1
InChIKey: XSFPZBUIBYMVEA-CELUQASASA-N
분자식: C36H35ClF3N7O6
평균 분자량: 754.2 g/mol

개요

Telotristat Etiprate is an orally bioavailable, small-molecule, tryptophan hydroxylase (TPH) inhibitor prodrug, with potential antiserotonergic activity. Upon administration, telotristat etiprate is converted to its active moiety, telotristat (LP-778902), which binds to and blocks the activity of TPH. This may result in a reduction in peripheral serotonin (5-HT) production and improvement of serotonin-mediated gastrointestinal effects such as severe diarrhea. TPH, the rate-limiting enzyme in serotonin biosynthesis, is overexpressed in carcinoid tumor cells.

이름 및 식별자

우선 이름: Telotristat Etiprate
IUPAC: 2-benzamidoacetic acid;ethyl (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoate

이름 및 동의어

Telotristat etiprate1137608-69-5LX1606 HippurateLX1032 hippurateTelotristat ethyl hippurateLX-1606 HippurateLX 1032 HIPPURATE3T25U84H4ULX-1032 HIPPURATEETHYL 4-(2-AMINO-6-((1R)-1-(4-CHLORO-2-(3-METHYL-1H-PYRAZOL-1-YL)PHENYL)-2,2,2-TRIFLUOROETHOXY)PRYRIMIDIN-4-YL)-L-PHENYLALANINATE N-BENZOYLGLYCINATE (1:1)RefChem:57927DTXCID101513443

이름 더 보기

DTXSID701027870LX 1606 HippurateTelotristat etiprate [USAN]1137608-69-5 (etiprate)UNII-3T25U84H4UMFCD227415204-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-L-phenylalanine ethyl ester N-benzoylglycine saltXermelo (TN)

데이터베이스 식별자

CAS: 1137608-69-5
PubChem CID: 25253377
ChEMBL: CHEMBL3348963
UNII: 3T25U84H4U
EC Number: 812-364-5

물성

구조 계산 물성

극성 표면적: 198 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 14
회전 가능 결합 수: 13
무거운 원자 수: 53
형식 전하: 0
복잡도: 1,020

실험 및 물리화학적 성질

Human Drugs · 3건

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine (Orphan designations)

FDA approved drugs -> Active ingredient

안전 및 규제

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Hazard Classes and CategoriesNot Classified

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Telotristat etiprate

Ambiguous-DILI-concern

Adverse reactions

DOI:10.1016/j.drudis.2016.02.015

연결된 노트

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