CAS 871307-18-5 Tpl2 Kinase Inhibitor (HCID 9549300)

기본 정보

CAS: 871307-18-5
표준 SMILES: N#Cc1cnc2cnc(NCc3cccnc3)cc2c1Nc1ccc(F)c(Cl)c1
InChIKey: NMEUKWOOQOHUNA-UHFFFAOYSA-N
분자식: C21H14ClFN6
평균 분자량: 404.8 g/mol
단동위원소 질량: 404.0952503

이름 및 식별자

우선 이름: Tpl2 Kinase Inhibitor
IUPAC: 4-(3-chloro-4-fluoroanilino)-6-(pyridin-3-ylmethylamino)-1,7-naphthyridine-3-carbonitrile
영어명: 4-[(3-Chloro-4-fluorophenyl)amino]-6-[(3-pyridinylmethyl)amino]-1,7-naphthyridine-3-carbonitrile
분자식: C21H14ClFN6
분자량: 404.83

이름 및 동의어

871307-18-5Tpl2 Kinase Inhibitor4-((3-Chloro-4-fluorophenyl)amino)-6-((pyridin-3-ylmethyl)amino)-1,7-naphthyridine-3-carbonitrileDTXSID004295554-[(3-chloro-4-fluorophenyl)amino]-6-[(pyridin-3-ylmethyl)amino]-1,7-naphthyridine-3-carbonitrileRefChem:190532DTXCID90380388Tpl2 Kinase Inhibitor 1TC-S 70064-[(3-CHLORO-4-FLUOROPHENYL)AMINO]-6-[(3-PYRIDINYLMETHYL)AMINO]-1,7-NAPHTHYRIDINE-3-CARBONITRILEK00599aTpl2-IN-2p

이름 더 보기

Tpl2 Kinase Inhibitor 1,Tpl-2 Kinase Inhibitor 11,7-Naphthyridine-3-carbonitrile, 4-[(3-chloro-4-fluorophenyl)amino]-6-[(3-pyridinylmethyl)amino]-

CHEMBL200381CS-00110914-(3-chloro-4-fluoro-anilino)-6-(3-pyridylmethylamino)-1,7-naphthyridine-3-carbonitrile4-(3-chloro-4-fluoroanilino)-6-(pyridin-3-ylmethylamino)-1,7-naphthyridine-3-carbonitrile4-(3-chloro-4-fluorophenylamino)-6-(pyridin-3-ylmethylamino)-1,7-naphthyridine-3-carbonitrileMFCD124053034-(3-Chloro-4-C21H14ClFN6

데이터베이스 식별자

CAS: 871307-18-5
PubChem CID: 9549300
DTXSID: DTXSID00429555
ChEMBL: CHEMBL200381
EC Number: 111-094-9
Nikkaji: J2.794.792A

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 86.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 5
무거운 원자 수: 29
형식 전하: 0
복잡도: 585

물리화학적 성질

끓는 점: 616.3 · 616.3±55.0 °C(Predicted)
밀도: 1.45 · 1.45
저장 조건: 2 · 2-8°C
용해도: 1 mg/ml; · DMF: 1 mg/ml; DMF:PBS(pH7.2) (1:2): 0.33 mg/ml; DMSO: 1 mg/ml
물리적 상태: 결정성 고체
산도 계수 (pKa): 4.8 · 4.80±0.10(Predicted)
색상: Yellow to green
InChI: 1S/C21H14ClFN6/c22-17-6-15(3-4-18(17)23)29-21-14(8-24)11-26-19-12-28-20(7-16(19)21)27-10-13-2-1-5-25-9-13/h1-7,9,11-12H,10H2,(H,26,29)(H,27,28)
InChIKey: NMEUKWOOQOHUNA-UHFFFAOYSA-N
SMILES: Fc1c(cc(cc1)Nc2c3c(ncc2C#N)cnc(c3)NCc4cnccc4)Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: WGK 2
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요Tpl2 kinase inhibitor is an inhibitor of tumor progression locus 2 (Tpl2; IC50 = 0.05 μM). It is selective for Tpl2 over MEK, p38 MAPK, Src, MK2, and PKC (IC50s = >40, 180, >400, 110, and >400 μM, respectively). Tpl2 kinase inhibitor inhibits LPS-induced TNF-α production in isolated human monocytes and whole blood (IC50s = 0.7 and 8.5 μM, respectively). It enhances differentiation induced by 1,25-dihydroxy vitamin D3 (calcitriol; ) in HL-60 and U937 leukemia cells when used at a concentration of 5 μM. Tpl2 kinase inhibitor (5 μM) inhibits the proliferation of KG-1a leukemia cells.

용도TC-S 7006 is a Tpl2 kinase inhibitor.

공급사23 곳

沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Aladdin Scientific[email protected]

上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]

南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]

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