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Filgotinib Maleate

HCID 131801100
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1802998-75-9
표준 SMILES
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1.O=C(O)/C=C\C(=O)O
InChIKey
BFENHEAPFWQJFL-BTJKTKAUSA-N
분자식
C25H27N5O7S
평균 분자량
541.6 g/mol
단동위원소 질량
541.16311939

개요

Filgotinib Maleate is the maleate form of filgotinib, an orally bioavailable inhibitor of the tyrosine kinase Janus kinase 1 (JAK1), with potential anti-inflammatory and immunomodulating activities. Upon oral administration, filgotinib specifically targets, binds to, and inhibits the phosphorylation of JAK1, which interferes with JAK/STAT (signal transducer and activator of transcription)-dependent signaling. As JAK1 mediates signaling of many pro-inflammatory cytokines, JAK1 inhibition prevents cytokine signaling and activity in many inflammatory and immune-mediated processes and leads to a decrease in inflammation and activation of certain immune cells. JAK1 plays a key role in the signaling and activity of many cytokines and growth factors and is often dysregulated in a variety of autoimmune and inflammatory diseases, as well as some malignancies.

이름 및 식별자

우선 이름
Filgotinib Maleate
IUPAC
(Z)-but-2-enedioic acid;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
영어명
Filgotinib maleate
분자식
C25H27N5O7S
분자량
541.58

이름 및 동의어

Filgotinib maleate1802998-75-9JG8OB4UL9YFilgotinib maleate [USAN]GS-6034FILGOTINIB MALEATE [JAN]FILGOTINIB MALEATE [WHO-DD]Cyclopropanecarboxamide, N-(5-(4-((1,1-dioxido-4-thiomorpholinyl)methyl)phenyl)(1,2,4)triazolo(1,5-a)pyridin-2-yl)-, (2Z)-2-butenedioate (1:1)N-(5-(4-((1,1-DIOXO-LAMBDA6-THIOMORPHOLIN-4-YL)METHYL)PHENYL)(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-2-YL)CYCLOPROPANECARBOXAMIDE (2Z)-2-BUTENEDIOATE (1:1)N-(5-(4-((1,1-Dioxo-lambda6-thiomorpholin-4-yl)methyl)phenyl)(1,2,4)triazolo(1,5-a)pyridin-2-yl)cyclopropanecarboxamide monomaleateN-(5-{4-[(1,1-Dioxo-lambda6-thiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide (2Z)-2-butenedioate (1:1)N-(5-{4-[(1,1-Dioxo-lambda6-thiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide monomaleate
이름 더 보기
Cyclopropanecarboxamide, N-[5-[4-[(1,1-dioxido-4-thiomorpholinyl)methyl]phenyl][1,2,4]triazolo[1,5-a]pyridin-2-yl]-, (2Z)-2-butenedioate (1:1) (ACI)
RefChem:599201N-(5-(4-((1,1-DIOXO-.LAMBDA.6-THIOMORPHOLIN-4-YL)METHYL)PHENYL)(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-2-YL)CYCLOPROPANECARBOXAMIDE (2Z)-2-BUTENEDIOATE (1:1)Filgotinib (maleate)N-(5-(4-((1,1-dioxidothiomorpholino)methyl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide maleate(Z)-but-2-enedioic acid;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamideJyseleca (TN)GLPG0634 maleateFilgotinib maleate [MI]

물성

구조 계산 물성

극성 표면적
180 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
10
회전 가능 결합 수
7
무거운 원자 수
38
형식 전하
0
복잡도
834

실험 및 물리화학적 성질

Human DrugsEMA approved medicines: Human medicine

물리화학적 성질

InChIKey
BFENHEAPFWQJFL-BTJKTKAUSA-N
SMILES
C(/C(=O)O)=C/C(=O)O.N(C1N=C2C=CC=C(C3C=CC(CN4CCS(=O)(=O)CC4)=CC=3)N2N=1)C(C1CC1)=O

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P260, P280, P318, P319, P405, 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 CategoriesRepr. 1B (100%)

안전 데이터

신호 어
Danger
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H360

화학 및 산업

응용 분야 · 1건

개요Filgotinib Maleate, the maleate form of filgotinib, is an oral bioactive inhibitor of the tyrosine kinase Janus kinase 1 (JAK1) with potential anti-inflammatory and immunomodulatory activities. JAK1 is a key enzyme in cytokine and growth factor-mediated signaling pathways for inflammation and immune function. Therefore, inhibiting the activity of JAK1 helps to exert therapeutic effects in various autoimmune diseases, inflammatory diseases, and certain malignant tumors.

공급사56 곳

台州开创生物医药有限公司+86-0576-88827176 +86-18906581668 · [email protected]
BEIJING SJAR TECHNOLOGY DEVELOPMENT CO., LTD.+86-18600796368 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
湖北海克斯生化有限公司18696113233
Sinoway Industrial co., ltd.+86-0592-5800732 +86-13806035118 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
Nantong Honglong Chemical Co., Ltd+86-86-13078814179 +8619052560825 · [email protected]
苏州莱忆科生物科技有限公司13771999217 13771999217 · [email protected]
安徽联创生物医药股份有限公司0551-68779238 18056025720 · [email protected]

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데이터베이스 식별자

CAS
1802998-75-9
PubChem CID
131801100
ChEMBL
CHEMBL4298167
UNII
JG8OB4UL9Y
EC Number
848-707-0
山东君泰药业有限公司18963498209 18963498209 · [email protected]
上海厚博生物科技有限公司+21-18501659228 18501659228
台州开创生物医药有限公司0576-88827176; +8613586099526 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
沧州康瑞医药科技有限公司18632776803
山东君泰药业有限公司15006412179 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
武汉海昕药物研究有限公司027-81525288 18086100502 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
沧州念科医药科技有限公司18958645613 15076704415
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
沧州恩科医药科技有限公司0317-5296180 15533709196 · [email protected]
济南晟齐医药科技有限公司0531-88892685 18660160628
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Anhui Lianchuang Biological Medicine Co.,Ltd+86-19355958469 · [email protected]
山东君泰药业有限公司18615688519; 18963498209 · [email protected]
沧州恩科医药科技有限公司0317-5106596 15533709196 · [email protected]
句容偶联生物科技有限公司19231718652 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
安庆研至医药科技有限公司18055651951 · [email protected]
南京旭泽风生物科技有限公司18136483608 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
江西汇和化工有限公司+86-19189228086 · [email protected]
山东优阜药业科技有限公司536-8266195 +8613953676784 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
郑州灏德医药科技有限公司18037386321 · [email protected]
榆林润天畅化工有限责任公司15890142075 15890142075 · [email protected]
武汉市鸿福达新材料有限公司19107255884 19107255884
南京乐帮医药科技有限公司18860950986 · [email protected]
江苏博思特化工科技有限公司87161895 15651337098 · [email protected]
上海盛袖生物科技有限公司13761144602 · [email protected]
南京耀正医药科技有限公司17721507860 · [email protected]