기본 정보
- CAS
1621175-65-2- 표준 SMILES
CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(-c2ccccn2)n1- InChIKey
DRSZMILOMUPIBJ-UHFFFAOYSA-N- 분자식
- C18H19ClN6O2S
- 평균 분자량
- 418.9 g/mol
- 단동위원소 질량
- 418.0978727
이름 및 식별자
- 우선 이름
- N-(3-Chloro-4-(((2-(methylamino)-6-(pyridin-2-yl)pyrimidin-4-yl)amino)methyl)phenyl)methanesulfonamide
- IUPAC
- N-[3-chloro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
- 영어명
- GPR39-C3
- 분자식
- C18H19ClN6O2S
- 분자량
- 418.9
이름 및 동의어
1621175-65-2TC-G-1008GPR39-C3N-(3-Chloro-4-(((2-(methylamino)-6-(pyridin-2-yl)pyrimidin-4-yl)amino)methyl)phenyl)methanesulfonamideTC-G 1008N-[3-Chloro-4-[[[2-(methylamino)-6-(2-pyridinyl)-4-pyrimidinyl]amino]methyl]phenyl]methanesulfonamideCHEMBL3342358MFCD30182283TC-G-1008 (GPR39-C3)N-[3-chloro-4-({[2-(methylamino)-6-(pyridin-2-yl)pyrimidin-4-yl]amino}methyl)phenyl]methanesulfonamideorb1222634orb1302683
이름 더 보기
CS-2374GPR39C3GPR39 C3TC-G-1008, 10 mM in DMSOinhibit,GHSR,Inhibitor,Growth hormone secretagogue receptor,TC G 1008,TCG1008Methanesulfonamide, N-[3-chloro-4-[[[2-(methylamino)-6-(2-pyridinyl)-4-pyrimidinyl]amino]methyl]phenyl]-
SCHEMBL24414683SCHEMBL29558325GPR39-C3?GLXC-06405EX-A1975WPC17565BDBM50030788s6759
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 589
물리화학적 성질
- 끓는 점
- 662.1 · 662.1±65.0 °C(Predicted)
- 밀도
- 1.462 · 1.462±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 63.97 · DMSO:63.97(Max Conc. mg/mL);152.72(Max Conc. mM)DMSO:PBS (pH 7.2) (1:5):0.16(Max Conc. mg/mL);0.38(Max Conc. mM)Ethanol:2.0(Max Conc. mg/mL);4.77(Max Conc. mM)
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 7.43 · 7.43±0.10(Predicted)
- 색상
- White to off-white
- InChI
- 1S/C18H19ClN6O2S/c1-20-18-23-16(15-5-3-4-8-21-15)10-17(24-18)22-11-12-6-7-13(9-14(12)19)25-28(2,26)27/h3-10,25H,11H2,1-2H3,(H2,20,22,23,24)
- InChIKey
- DRSZMILOMUPIBJ-UHFFFAOYSA-N
- SMILES
- CNC1=NC(C2=CC=CC=N2)=CC(NCC3=C(Cl)C=C(NS(C)(=O)=O)C=C3)=N1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요GPR39-C3 is a potent agonist of the orphan G protein-coupled receptor GPR39 with EC50 values of 0.8 and 0.4 nM for cAMP production in HEK293 cells expressing human and rat receptors, respectively. It is selective for GPR39 over a panel of kinases (IC50s = >10 μM), ghrelin and neurotensin-1 receptors (IC50s = >30 μM), and a variety of enzymes, transporters, or G protein-coupled receptors. GPR39-C3 increases secretion of glucagon-like peptide 1 (GLP-1; ) in STC-1 mouse enteroendocrine cells (EC50 = 0.06 μM) and is protective against cytokine-induced cell death in INS-1E rat insulinoma cells (EC50 = 0.02 μM). In vivo, GPR39-C3 (30 mg/kg) increases the amount of active GLP-1 in sera by 6-fold in glucose-challenged mice when administered concurrently with a dipeptidyl peptidase 4 (DPP-4) inhibitor.
용도TC-G 1008 is the first potent, selective, and orally bioavailable GPR39 agonist.
공급사56 곳
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InvivoChem中国13549236410 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
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