Atglistatin

HCID 71699712

기본 정보

CAS: 1469924-27-3
표준 SMILES: CN(C)C(=O)Nc1cccc(-c2ccc(N(C)C)cc2)c1
InChIKey: AWOPBSAJHCUSAS-UHFFFAOYSA-N
분자식: C17H21N3O
평균 분자량: 283.37 g/mol
단동위원소 질량: 283.1684623

개요

Atglistatin is a biphenyl that is 1,1'-biphenyl substituted by (dimethylcarbamoyl)amino and dimethylamino groups at positions 3 and 4', respectively. It is a potent inhibitor of adipose triglyceride lipase activity (IC50 = 700nM). It has a role as an EC 3.1.1.3 (triacylglycerol lipase) inhibitor and a cardioprotective agent. It is a member of biphenyls, an aromatic amine, a member of ureas and a tertiary amino compound.

이름 및 식별자

우선 이름: Atglistatin
IUPAC: 3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea
영어명: Atglistatin
분자식: C17H21N3O
분자량: 283.37

이름 및 동의어

Atglistatin3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea3-(3-(4-(dimethylamino)phenyl)phenyl)-1,1-dimethylureaRefChem:1154121469924-27-33-(4'-(Dimethylamino)-[1,1'-biphenyl]-3-yl)-1,1-dimethylureaMFCD28009494CHEMBL3823931N'-[4'-(dimethylamino)[1,1'-biphenyl]-3-yl]-N,N-dimethylurea1-[4'-(DIMETHYLAMINO)-[1,1'-BIPHENYL]-3-YL]-3,3-DIMETHYLUREAs7364AKOS026750242

이름 더 보기

istatinCS-1024At listatinAtglistatin, >=98%Atglistatin, 10 mM in DMSOATGL Inhibitor, Atglistatin3-[4’-(Dimethylamino)-biphenyl-3-yl]-1,1-dimethylurea3-[4’-(Dimethylamino)-biphenyl-3-yl]-1,1-dimethylurea

3-(4'-(dimethylamino)biphenyl-3-yl)-1,1-dimethylurea3-[4'-(Dimethylamino)-biphenyl-3-yl]-1,1-dimethylureaAC-35213HY-15859SW220102-1EN300-1727373-[4'-(Dimethylamino)[1,1'-biphenyl]-3-yl]-1,1-dimethylureaAtglistatin?

데이터베이스 식별자

CAS: 1469924-27-3
PubChem CID: 71699712
ChEMBL: CHEMBL3823931
ChEBI: CHEBI:228145
EC Number: 809-205-7
Nikkaji: J3.233.480F

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 35.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 335

물리화학적 성질

녹는점: 165 · 165-167 °C
끓는 점: 498.6 · 498.6±45.0 °C(Predicted)
밀도: 1.135 · 1.135±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: DMSO(최대 5mg/ml) 또는 에탄올(가온 시 최대 5mg/ml)에 용해됩니다.
물리적 상태: 가루
산도 계수 (pKa): 15.01 · 15.01±0.70(Predicted)
색상: 흰색에서 베이지색
안정성: 2 · 공급된 상태로 2년 동안 안정적입니다. DMSO 또는 에탄올 용액은 -20°C에서 최대 3개월 동안 보관할 수 있습니다.
InChI: 1S/C17H21N3O/c1-19(2)16-10-8-13(9-11-16)14-6-5-7-15(12-14)18-17(21)20(3)4/h5-12H,1-4H3,(H,18,21)
InChIKey: AWOPBSAJHCUSAS-UHFFFAOYSA-N
SMILES: CN(C)C(NC1=CC=CC(C2=CC=C(N(C)C)C=C2)=C1)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 36/37/39
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요Adipose triglyceride lipase (ATGL or PNPLA2) catalyzes the initial step in triglyceride hydrolysis in adipocyte and non-adipocyte lipid droplets, generating diacylglyerol. Atglistatin is a potent, selective, and competitive inhibitor of ATGL (IC50 = 0.7 μM). It does not inhibit hormone-sensitive lipase, monoglyceride lipase, pancreatic lipase, lipoprotein lipase, or other lysophospholipases. Atglistatin blocks lipolysis by ATGL in vitro, in white adipose tissue organ cultures, and in vivo. It does not affect lipolysis in ATGL knockout mice.

용도Atglistatin has been used as a selective inhibitor of adipose triglyceride lipase (ATGL).

공급사100 곳

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

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

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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